1-(4-heptylcyclohexyl)-4-[3-[3-[4-(4-heptylcyclohexyl)phenyl]-3-(4-pentylcyclohexyl)prop-2-enoxy]-1-(4-pentylcyclohexyl)prop-1-enyl]benzene

C66H106O — CID 173360498

IUPAC1-(4-heptylcyclohexyl)-4-[3-[3-[4-(4-heptylcyclohexyl)phenyl]-3-(4-pentylcyclohexyl)prop-2-enoxy]-1-(4-pentylcyclohexyl)prop-1-enyl]benzene
SMILESCCCCCCCC1CCC(c2ccc(C(=CCOCC=C(c3ccc(C4CCC(CCCCCCC)CC4)cc3)C3CCC(CCCCC)CC3)C3CCC(CCCCC)CC3)cc2)CC1
InChIInChI=1S/C66H106O/c1-5-9-13-15-19-23-55-25-33-57(34-26-55)59-41-45-63(46-42-59)65(61-37-29-53(30-38-61)21-17-11-7-3)49-51-67-52-50-66(62-39-31-54(32-40-62)22-18-12-8-4)64-47-43-60(44-48-64)58-35-27-56(28-36-58)24-20-16-14-10-6-2/h41-50,53-58,61-62H,5-40,51-52H2,1-4H3
InChIKeyAJYJJZAKYYEWAX-UHFFFAOYSA-N
MW915.57 g/mol
LogP21.21
Rot. Bonds30

About 1-(4-heptylcyclohexyl)-4-[3-[3-[4-(4-heptylcyclohexyl)phenyl]-3-(4-pentylcyclohexyl)prop-2-enoxy]-1-(4-pentylcyclohexyl)prop-1-enyl]benzene

1-(4-heptylcyclohexyl)-4-[3-[3-[4-(4-heptylcyclohexyl)phenyl]-3-(4-pentylcyclohexyl)prop-2-enoxy]-1-(4-pentylcyclohexyl)prop-1-enyl]benzene (PubChem CID 173360498) has the molecular formula C66H106O and a molecular weight of 915.57 g/mol. Its IUPAC name is 1-(4-heptylcyclohexyl)-4-[3-[3-[4-(4-heptylcyclohexyl)phenyl]-3-(4-pentylcyclohexyl)prop-2-enoxy]-1-(4-pentylcyclohexyl)prop-1-enyl]benzene.

Molecular Properties

Compound Name1-(4-heptylcyclohexyl)-4-[3-[3-[4-(4-heptylcyclohexyl)phenyl]-3-(4-pentylcyclohexyl)prop-2-enoxy]-1-(4-pentylcyclohexyl)prop-1-enyl]benzene
PubChem CID173360498
Molecular FormulaC66H106O
Molecular Weight915.57 g/mol
Exact Mass914.82
IUPAC Name1-(4-heptylcyclohexyl)-4-[3-[3-[4-(4-heptylcyclohexyl)phenyl]-3-(4-pentylcyclohexyl)prop-2-enoxy]-1-(4-pentylcyclohexyl)prop-1-enyl]benzene
SMILESCCCCCCCC1CCC(c2ccc(C(=CCOCC=C(c3ccc(C4CCC(CCCCCCC)CC4)cc3)C3CCC(CCCCC)CC3)C3CCC(CCCCC)CC3)cc2)CC1
InChIInChI=1S/C66H106O/c1-5-9-13-15-19-23-55-25-33-57(34-26-55)59-41-45-63(46-42-59)65(61-37-29-53(30-38-61)21-17-11-7-3)49-51-67-52-50-66(62-39-31-54(32-40-62)22-18-12-8-4)64-47-43-60(44-48-64)58-35-27-56(28-36-58)24-20-16-14-10-6-2/h41-50,53-58,61-62H,5-40,51-52H2,1-4H3
InChIKeyAJYJJZAKYYEWAX-UHFFFAOYSA-N
XLogP21.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.57
LogP ≤ 521.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-heptylcyclohexyl)-4-[3-[3-[4-(4-heptylcyclohexyl)phenyl]-3-(4-pentylcyclohexyl)prop-2-enoxy]-1-(4-pentylcyclohexyl)prop-1-enyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-pentoxy-4-[3-[3-(4-pentoxyphenyl)-3-(4-pentylcyclohexyl)prop-2-enoxy]-1-(4-pentylcyclohexyl)prop-1-enyl]benzene
CID 67863522
1-fluoro-4-[4-[3-[3-[4-(4-fluorophenyl)phenyl]-3-(4-pentylcyclohexyl)prop-2-enoxy]-1-(4-pentylcyclohexyl)prop-1-enyl]phenyl]benzene
CID 67863597
4-[3-[3-(3,4-difluorophenyl)-3-(4-pentylcyclohexyl)prop-2-enoxy]-1-(4-pentylcyclohexyl)prop-1-enyl]-1,2-difluorobenzene
CID 67863612
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
4-(4-heptylcyclohexyl)benzoic acid
CID 12700035
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-octylcyclohexyl)-4-(prop-2-enoxymethyl)benzene
CID 18649527
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
4-[4-[3-[3-[4-(4-cyanophenyl)phenyl]-3-(4-propylcyclohexyl)prop-2-enoxy]-1-(4-propylcyclohexyl)prop-1-enyl]phenyl]benzonitrile
CID 67863775

Frequently Asked Questions

What is the IUPAC name of 1-(4-heptylcyclohexyl)-4-[3-[3-[4-(4-heptylcyclohexyl)phenyl]-3-(4-pentylcyclohexyl)prop-2-enoxy]-1-(4-pentylcyclohexyl)prop-1-enyl]benzene?
The IUPAC name of 1-(4-heptylcyclohexyl)-4-[3-[3-[4-(4-heptylcyclohexyl)phenyl]-3-(4-pentylcyclohexyl)prop-2-enoxy]-1-(4-pentylcyclohexyl)prop-1-enyl]benzene (CID 173360498) is 1-(4-heptylcyclohexyl)-4-[3-[3-[4-(4-heptylcyclohexyl)phenyl]-3-(4-pentylcyclohexyl)prop-2-enoxy]-1-(4-pentylcyclohexyl)prop-1-enyl]benzene.
What is the SMILES notation for 1-(4-heptylcyclohexyl)-4-[3-[3-[4-(4-heptylcyclohexyl)phenyl]-3-(4-pentylcyclohexyl)prop-2-enoxy]-1-(4-pentylcyclohexyl)prop-1-enyl]benzene?
The canonical SMILES for 1-(4-heptylcyclohexyl)-4-[3-[3-[4-(4-heptylcyclohexyl)phenyl]-3-(4-pentylcyclohexyl)prop-2-enoxy]-1-(4-pentylcyclohexyl)prop-1-enyl]benzene is CCCCCCCC1CCC(c2ccc(C(=CCOCC=C(c3ccc(C4CCC(CCCCCCC)CC4)cc3)C3CCC(CCCCC)CC3)C3CCC(CCCCC)CC3)cc2)CC1.
What is the InChIKey of 1-(4-heptylcyclohexyl)-4-[3-[3-[4-(4-heptylcyclohexyl)phenyl]-3-(4-pentylcyclohexyl)prop-2-enoxy]-1-(4-pentylcyclohexyl)prop-1-enyl]benzene?
The InChIKey is AJYJJZAKYYEWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H106O/c1-5-9-13-15-19-23-55-25-33-57(34-26-55)59-41-45-63(46-42-59)65(61-37-29-53(30-38-61)21-17-11-7-3)49-51-67-52-50-66(62-39-31-54(32-40-62)22-18-12-8-4)64-47-43-60(44-48-64)58-35-27-56(28-36-58)24-20-16-14-10-6-2/h41-50,53-58,61-62H,5-40,51-52H2,1-4H3.
What are the key properties of 1-(4-heptylcyclohexyl)-4-[3-[3-[4-(4-heptylcyclohexyl)phenyl]-3-(4-pentylcyclohexyl)prop-2-enoxy]-1-(4-pentylcyclohexyl)prop-1-enyl]benzene?
1-(4-heptylcyclohexyl)-4-[3-[3-[4-(4-heptylcyclohexyl)phenyl]-3-(4-pentylcyclohexyl)prop-2-enoxy]-1-(4-pentylcyclohexyl)prop-1-enyl]benzene has a molecular weight of 915.57 g/mol, XLogP of 21.21, 30 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-heptylcyclohexyl)-4-[3-[3-[4-(4-heptylcyclohexyl)phenyl]-3-(4-pentylcyclohexyl)prop-2-enoxy]-1-(4-pentylcyclohexyl)prop-1-enyl]benzene is sourced from PubChem (CID 173360498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).