(1S,2Z,4E,8R,9E,12E)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,9,12-tetraene-1,8-diol

C20H32O2 — CID 14137998

IUPAC(1S,2Z,4E,8R,9E,12E)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,9,12-tetraene-1,8-diol
SMILESC/C1=C/C=C(/C(C)C)[C@@H](O)C/C(C)=C/C/C=C(\C)[C@H](O)CC1
InChIInChI=1S/C20H32O2/c1-14(2)18-11-9-15(3)10-12-19(21)17(5)8-6-7-16(4)13-20(18)22/h7-9,11,14,19-22H,6,10,12-13H2,1-5H3/b15-9-,16-7+,17-8+,18-11-/t19-,20+/m1/s1
InChIKeyXGJYGZRCZJNSIR-FJIIDNRSSA-N
MW304.47 g/mol
LogP4.70
Rot. Bonds1

About (1S,2Z,4E,8R,9E,12E)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,9,12-tetraene-1,8-diol

(1S,2Z,4E,8R,9E,12E)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,9,12-tetraene-1,8-diol (PubChem CID 14137998) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (1S,2Z,4E,8R,9E,12E)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,9,12-tetraene-1,8-diol.

Molecular Properties

Compound Name(1S,2Z,4E,8R,9E,12E)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,9,12-tetraene-1,8-diol
PubChem CID14137998
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(1S,2Z,4E,8R,9E,12E)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,9,12-tetraene-1,8-diol
SMILESC/C1=C/C=C(/C(C)C)[C@@H](O)C/C(C)=C/C/C=C(\C)[C@H](O)CC1
InChIInChI=1S/C20H32O2/c1-14(2)18-11-9-15(3)10-12-19(21)17(5)8-6-7-16(4)13-20(18)22/h7-9,11,14,19-22H,6,10,12-13H2,1-5H3/b15-9-,16-7+,17-8+,18-11-/t19-,20+/m1/s1
InChIKeyXGJYGZRCZJNSIR-FJIIDNRSSA-N
XLogP4.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2Z,4E,8R,9E,12E)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,9,12-tetraene-1,8-diol 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

(2S,4R)-p-Mentha-1(7),5-dien-2-ol
CID 5319361
Sarcophytol A
CID 5284454
Epimukulol
CID 13255923
(1R,3R,4E,7S,8E,12S,13E)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3,7-triol
CID 21728622
(1R,4E,7R,10E)-4,10-dimethyl-14-methylidene-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-ol
CID 155536387
Boletinin C
CID 10426301
boletinin B
CID 11723673
(2E,6E,11S,12R)-3,7,11,15-tetramethylhexadeca-2,6,14-triene-1,12-diol
CID 16681369
Sarcophytol B
CID 11077582
(1R,2E,4S,6E,10S)-3,7-dimethyl-10-[(2R)-6-methylhept-5-en-2-yl]cyclodeca-2,6-diene-1,4-diol
CID 15715159
cis-1(7),5-p-Menthadien-2-ol
CID 91753261
(1S,2E,4R,6E,10E,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-triene-1,4-diol
CID 21574993

Frequently Asked Questions

What is the IUPAC name of (1S,2Z,4E,8R,9E,12E)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,9,12-tetraene-1,8-diol?
The IUPAC name of (1S,2Z,4E,8R,9E,12E)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,9,12-tetraene-1,8-diol (CID 14137998) is (1S,2Z,4E,8R,9E,12E)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,9,12-tetraene-1,8-diol.
What is the SMILES notation for (1S,2Z,4E,8R,9E,12E)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,9,12-tetraene-1,8-diol?
The canonical SMILES for (1S,2Z,4E,8R,9E,12E)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,9,12-tetraene-1,8-diol is C/C1=C/C=C(/C(C)C)[C@@H](O)C/C(C)=C/C/C=C(\C)[C@H](O)CC1.
What is the InChIKey of (1S,2Z,4E,8R,9E,12E)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,9,12-tetraene-1,8-diol?
The InChIKey is XGJYGZRCZJNSIR-FJIIDNRSSA-N. The full InChI is InChI=1S/C20H32O2/c1-14(2)18-11-9-15(3)10-12-19(21)17(5)8-6-7-16(4)13-20(18)22/h7-9,11,14,19-22H,6,10,12-13H2,1-5H3/b15-9-,16-7+,17-8+,18-11-/t19-,20+/m1/s1.
What are the key properties of (1S,2Z,4E,8R,9E,12E)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,9,12-tetraene-1,8-diol?
(1S,2Z,4E,8R,9E,12E)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,9,12-tetraene-1,8-diol has a molecular weight of 304.47 g/mol, XLogP of 4.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2Z,4E,8R,9E,12E)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,9,12-tetraene-1,8-diol is sourced from PubChem (CID 14137998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).