2-but-2-enoxy-6-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]naphthalene

C31H38O — CID 139862836

IUPAC2-but-2-enoxy-6-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]naphthalene
SMILESCC=CCOc1ccc2cc(CCc3ccc(C4CCC(CCC)CC4)cc3)ccc2c1
InChIInChI=1S/C31H38O/c1-3-5-21-32-31-20-19-29-22-26(13-18-30(29)23-31)8-7-25-11-16-28(17-12-25)27-14-9-24(6-4-2)10-15-27/h3,5,11-13,16-20,22-24,27H,4,6-10,14-15,21H2,1-2H3
InChIKeySKUUCJNTFXCUGO-UHFFFAOYSA-N
MW426.64 g/mol
LogP8.65
Rot. Bonds9

About 2-but-2-enoxy-6-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]naphthalene

2-but-2-enoxy-6-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]naphthalene (PubChem CID 139862836) has the molecular formula C31H38O and a molecular weight of 426.64 g/mol. Its IUPAC name is 2-but-2-enoxy-6-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]naphthalene.

Molecular Properties

Compound Name2-but-2-enoxy-6-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]naphthalene
PubChem CID139862836
Molecular FormulaC31H38O
Molecular Weight426.64 g/mol
Exact Mass426.29
IUPAC Name2-but-2-enoxy-6-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]naphthalene
SMILESCC=CCOc1ccc2cc(CCc3ccc(C4CCC(CCC)CC4)cc3)ccc2c1
InChIInChI=1S/C31H38O/c1-3-5-21-32-31-20-19-29-22-26(13-18-30(29)23-31)8-7-25-11-16-28(17-12-25)27-14-9-24(6-4-2)10-15-27/h3,5,11-13,16-20,22-24,27H,4,6-10,14-15,21H2,1-2H3
InChIKeySKUUCJNTFXCUGO-UHFFFAOYSA-N
XLogP8.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.64
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-6-prop-2-enoxynaphthalene
CID 139863023
1-[(E)-but-2-enoxy]-4-(4-butylcyclohexyl)benzene
CID 170842005
6-but-2-enoxy-2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139864036
1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 22991361
6-but-2-enoxy-1-fluoro-2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene
CID 139864218
7-but-2-enoxy-1,2-difluoro-3-(4-propylcyclohexyl)naphthalene
CID 139861294
2-[(E)-but-2-enoxy]-6-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 22383055
2-but-3-enyl-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]naphthalene
CID 139862382
2-heptoxy-6-(4-propylcyclohexyl)naphthalene
CID 20500463
2-[(E)-pent-3-enyl]-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861118
2-methoxy-6-[2-(4-propylcyclohexyl)ethyl]naphthalene
CID 139877588
1-pentyl-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 20677014

Frequently Asked Questions

What is the IUPAC name of 2-but-2-enoxy-6-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]naphthalene?
The IUPAC name of 2-but-2-enoxy-6-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]naphthalene (CID 139862836) is 2-but-2-enoxy-6-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]naphthalene.
What is the SMILES notation for 2-but-2-enoxy-6-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]naphthalene?
The canonical SMILES for 2-but-2-enoxy-6-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]naphthalene is CC=CCOc1ccc2cc(CCc3ccc(C4CCC(CCC)CC4)cc3)ccc2c1.
What is the InChIKey of 2-but-2-enoxy-6-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]naphthalene?
The InChIKey is SKUUCJNTFXCUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38O/c1-3-5-21-32-31-20-19-29-22-26(13-18-30(29)23-31)8-7-25-11-16-28(17-12-25)27-14-9-24(6-4-2)10-15-27/h3,5,11-13,16-20,22-24,27H,4,6-10,14-15,21H2,1-2H3.
What are the key properties of 2-but-2-enoxy-6-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]naphthalene?
2-but-2-enoxy-6-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]naphthalene has a molecular weight of 426.64 g/mol, XLogP of 8.65, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enoxy-6-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]naphthalene is sourced from PubChem (CID 139862836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).