(8S)-3,8-dimethyl-5,12,14-tripropyltetracyclo[14.3.1.02,7.010,15]icosa-1(20),2(7),3,5,10(15),11,13,16,18-nonaen-20-ol

C31H38O — CID 145234694

IUPAC(8S)-3,8-dimethyl-5,12,14-tripropyltetracyclo[14.3.1.02,7.010,15]icosa-1(20),2(7),3,5,10(15),11,13,16,18-nonaen-20-ol
SMILESCCCc1cc(CCC)c2c(c1)C[C@H](C)c1cc(CCC)cc(C)c1-c1cccc-2c1O
InChIInChI=1S/C31H38O/c1-6-10-22-15-21(5)29-26-13-9-14-27(31(26)32)30-24(12-8-3)17-23(11-7-2)18-25(30)16-20(4)28(29)19-22/h9,13-15,17-20,32H,6-8,10-12,16H2,1-5H3/t20-/m0/s1
InChIKeyDCNKOAXEMBFEMZ-FQEVSTJZSA-N
MW426.64 g/mol
LogP8.55
Rot. Bonds6

About (8S)-3,8-dimethyl-5,12,14-tripropyltetracyclo[14.3.1.02,7.010,15]icosa-1(20),2(7),3,5,10(15),11,13,16,18-nonaen-20-ol

(8S)-3,8-dimethyl-5,12,14-tripropyltetracyclo[14.3.1.02,7.010,15]icosa-1(20),2(7),3,5,10(15),11,13,16,18-nonaen-20-ol (PubChem CID 145234694) has the molecular formula C31H38O and a molecular weight of 426.64 g/mol. Its IUPAC name is (8S)-3,8-dimethyl-5,12,14-tripropyltetracyclo[14.3.1.02,7.010,15]icosa-1(20),2(7),3,5,10(15),11,13,16,18-nonaen-20-ol.

Molecular Properties

Compound Name(8S)-3,8-dimethyl-5,12,14-tripropyltetracyclo[14.3.1.02,7.010,15]icosa-1(20),2(7),3,5,10(15),11,13,16,18-nonaen-20-ol
PubChem CID145234694
Molecular FormulaC31H38O
Molecular Weight426.64 g/mol
Exact Mass426.29
IUPAC Name(8S)-3,8-dimethyl-5,12,14-tripropyltetracyclo[14.3.1.02,7.010,15]icosa-1(20),2(7),3,5,10(15),11,13,16,18-nonaen-20-ol
SMILESCCCc1cc(CCC)c2c(c1)C[C@H](C)c1cc(CCC)cc(C)c1-c1cccc-2c1O
InChIInChI=1S/C31H38O/c1-6-10-22-15-21(5)29-26-13-9-14-27(31(26)32)30-24(12-8-3)17-23(11-7-2)18-25(30)16-20(4)28(29)19-22/h9,13-15,17-20,32H,6-8,10-12,16H2,1-5H3/t20-/m0/s1
InChIKeyDCNKOAXEMBFEMZ-FQEVSTJZSA-N
XLogP8.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.64
LogP ≤ 58.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (8S)-3,8-dimethyl-5,12,14-tripropyltetracyclo[14.3.1.02,7.010,15]icosa-1(20),2(7),3,5,10(15),11,13,16,18-nonaen-20-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8S)-3,8-dimethyl-5,12,14-tripropyltetracyclo[14.3.1.02,7.010,15]icosa-1(20),2(7),3,5,10(15),11,13,16,18-nonaen-20-ol?
The IUPAC name of (8S)-3,8-dimethyl-5,12,14-tripropyltetracyclo[14.3.1.02,7.010,15]icosa-1(20),2(7),3,5,10(15),11,13,16,18-nonaen-20-ol (CID 145234694) is (8S)-3,8-dimethyl-5,12,14-tripropyltetracyclo[14.3.1.02,7.010,15]icosa-1(20),2(7),3,5,10(15),11,13,16,18-nonaen-20-ol.
What is the SMILES notation for (8S)-3,8-dimethyl-5,12,14-tripropyltetracyclo[14.3.1.02,7.010,15]icosa-1(20),2(7),3,5,10(15),11,13,16,18-nonaen-20-ol?
The canonical SMILES for (8S)-3,8-dimethyl-5,12,14-tripropyltetracyclo[14.3.1.02,7.010,15]icosa-1(20),2(7),3,5,10(15),11,13,16,18-nonaen-20-ol is CCCc1cc(CCC)c2c(c1)C[C@H](C)c1cc(CCC)cc(C)c1-c1cccc-2c1O.
What is the InChIKey of (8S)-3,8-dimethyl-5,12,14-tripropyltetracyclo[14.3.1.02,7.010,15]icosa-1(20),2(7),3,5,10(15),11,13,16,18-nonaen-20-ol?
The InChIKey is DCNKOAXEMBFEMZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C31H38O/c1-6-10-22-15-21(5)29-26-13-9-14-27(31(26)32)30-24(12-8-3)17-23(11-7-2)18-25(30)16-20(4)28(29)19-22/h9,13-15,17-20,32H,6-8,10-12,16H2,1-5H3/t20-/m0/s1.
What are the key properties of (8S)-3,8-dimethyl-5,12,14-tripropyltetracyclo[14.3.1.02,7.010,15]icosa-1(20),2(7),3,5,10(15),11,13,16,18-nonaen-20-ol?
(8S)-3,8-dimethyl-5,12,14-tripropyltetracyclo[14.3.1.02,7.010,15]icosa-1(20),2(7),3,5,10(15),11,13,16,18-nonaen-20-ol has a molecular weight of 426.64 g/mol, XLogP of 8.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-3,8-dimethyl-5,12,14-tripropyltetracyclo[14.3.1.02,7.010,15]icosa-1(20),2(7),3,5,10(15),11,13,16,18-nonaen-20-ol is sourced from PubChem (CID 145234694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).