3-propyl-6-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]-3,4-dihydro-2H-pyran

C25H42O — CID 118583702

IUPAC3-propyl-6-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]-3,4-dihydro-2H-pyran
SMILESCCCC1CCC(/C=C/C2CCC(C3=CCC(CCC)CO3)CC2)CC1
InChIInChI=1S/C25H42O/c1-3-5-20-7-9-21(10-8-20)11-12-22-13-16-24(17-14-22)25-18-15-23(6-4-2)19-26-25/h11-12,18,20-24H,3-10,13-17,19H2,1-2H3/b12-11+
InChIKeyKMNFJYAKKFTMRR-VAWYXSNFSA-N
MW358.61 g/mol
LogP7.68
Rot. Bonds7

About 3-propyl-6-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]-3,4-dihydro-2H-pyran

3-propyl-6-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]-3,4-dihydro-2H-pyran (PubChem CID 118583702) has the molecular formula C25H42O and a molecular weight of 358.61 g/mol. Its IUPAC name is 3-propyl-6-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name3-propyl-6-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]-3,4-dihydro-2H-pyran
PubChem CID118583702
Molecular FormulaC25H42O
Molecular Weight358.61 g/mol
Exact Mass358.32
IUPAC Name3-propyl-6-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]-3,4-dihydro-2H-pyran
SMILESCCCC1CCC(/C=C/C2CCC(C3=CCC(CCC)CO3)CC2)CC1
InChIInChI=1S/C25H42O/c1-3-5-20-7-9-21(10-8-20)11-12-22-13-16-24(17-14-22)25-18-15-23(6-4-2)19-26-25/h11-12,18,20-24H,3-10,13-17,19H2,1-2H3/b12-11+
InChIKeyKMNFJYAKKFTMRR-VAWYXSNFSA-N
XLogP7.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.61
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-propyl-6-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]-3,4-dihydro-2H-pyran with MolForge

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Related Compounds

3-[(4-ethoxy-2,3-difluorophenoxy)methyl]-6-(4-pentylcyclohexyl)-3,4-dihydro-2H-pyran
CID 118583578
1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane
CID 143239770
1-[4-[(E)-pent-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 19899800
3-ethyl-6-[4-(4-methylphenyl)cyclohexyl]-3,4-dihydro-2H-pyran
CID 118583690
2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-(4-propylcyclohexyl)pyrimidine
CID 18656269
3-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-6-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran
CID 118583599
3-(4-propylcyclohexyl)prop-2-enenitrile
CID 54536266
1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane
CID 139659740
3-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]prop-2-enenitrile
CID 67589827
3-ethyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-3,4-dihydro-2H-pyran
CID 118583717
5-(oxiran-2-yl)-2-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane
CID 89008539
1-[4-[4-[2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]prop-2-en-1-one
CID 59695799

Frequently Asked Questions

What is the IUPAC name of 3-propyl-6-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]-3,4-dihydro-2H-pyran?
The IUPAC name of 3-propyl-6-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]-3,4-dihydro-2H-pyran (CID 118583702) is 3-propyl-6-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 3-propyl-6-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 3-propyl-6-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]-3,4-dihydro-2H-pyran is CCCC1CCC(/C=C/C2CCC(C3=CCC(CCC)CO3)CC2)CC1.
What is the InChIKey of 3-propyl-6-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]-3,4-dihydro-2H-pyran?
The InChIKey is KMNFJYAKKFTMRR-VAWYXSNFSA-N. The full InChI is InChI=1S/C25H42O/c1-3-5-20-7-9-21(10-8-20)11-12-22-13-16-24(17-14-22)25-18-15-23(6-4-2)19-26-25/h11-12,18,20-24H,3-10,13-17,19H2,1-2H3/b12-11+.
What are the key properties of 3-propyl-6-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]-3,4-dihydro-2H-pyran?
3-propyl-6-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]-3,4-dihydro-2H-pyran has a molecular weight of 358.61 g/mol, XLogP of 7.68, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-6-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118583702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).