(3Z,5E,9E,13Z)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol

C20H32O2 — CID 20839162

IUPAC(3Z,5E,9E,13Z)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol
SMILESC/C1=C/CC/C(C)=C/CC/C(C)=C/C=C(/C(C)C)C(O)C1O
InChIInChI=1S/C20H32O2/c1-14(2)18-13-12-16(4)9-6-8-15(3)10-7-11-17(5)19(21)20(18)22/h8,11-14,19-22H,6-7,9-10H2,1-5H3/b15-8+,16-12+,17-11-,18-13-
InChIKeyLBNWKNLAXODPTN-GVEWXQBPSA-N
MW304.47 g/mol
LogP4.70
Rot. Bonds1

About (3Z,5E,9E,13Z)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol

(3Z,5E,9E,13Z)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol (PubChem CID 20839162) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (3Z,5E,9E,13Z)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol.

Molecular Properties

Compound Name(3Z,5E,9E,13Z)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol
PubChem CID20839162
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(3Z,5E,9E,13Z)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol
SMILESC/C1=C/CC/C(C)=C/CC/C(C)=C/C=C(/C(C)C)C(O)C1O
InChIInChI=1S/C20H32O2/c1-14(2)18-13-12-16(4)9-6-8-15(3)10-7-11-17(5)19(21)20(18)22/h8,11-14,19-22H,6-7,9-10H2,1-5H3/b15-8+,16-12+,17-11-,18-13-
InChIKeyLBNWKNLAXODPTN-GVEWXQBPSA-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'}

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Related Compounds

(3Z,5E,9E,13E)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol
CID 11722599
(1S,2Z,4E,8S,12E)-5,13-dimethyl-9-methylidene-2-propan-2-ylcyclotetradeca-2,4,12-triene-1,8-diol
CID 14138011
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
[(1R,2S,3R,4Z,6E,10E,14S)-2-acetyloxy-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-3-yl] acetate
CID 10573301
(1E,5E,9E)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
CID 171904454
1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
CID 75094485
(2E,6E,10E)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-2,6,10-trien-1-ol
CID 13255921
(1S,4E,6Z,10E)-8-ethoxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-ol
CID 14379328
(2R,5E,9E,11Z)-5,9-dimethyl-12-propan-2-yl-2-prop-1-en-2-yl-1-oxacyclotrideca-5,9,11-triene
CID 11822345
(2R,5E,9Z,11E)-5,9-dimethyl-12-propan-2-yl-2-prop-1-en-2-yl-1-oxacyclotrideca-5,9,11-triene
CID 10979097
1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol
CID 162979364
(1S,3R,4E,8E,12S,13E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol
CID 66852026

Frequently Asked Questions

What is the IUPAC name of (3Z,5E,9E,13Z)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol?
The IUPAC name of (3Z,5E,9E,13Z)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol (CID 20839162) is (3Z,5E,9E,13Z)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol.
What is the SMILES notation for (3Z,5E,9E,13Z)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol?
The canonical SMILES for (3Z,5E,9E,13Z)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol is C/C1=C/CC/C(C)=C/CC/C(C)=C/C=C(/C(C)C)C(O)C1O.
What is the InChIKey of (3Z,5E,9E,13Z)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol?
The InChIKey is LBNWKNLAXODPTN-GVEWXQBPSA-N. The full InChI is InChI=1S/C20H32O2/c1-14(2)18-13-12-16(4)9-6-8-15(3)10-7-11-17(5)19(21)20(18)22/h8,11-14,19-22H,6-7,9-10H2,1-5H3/b15-8+,16-12+,17-11-,18-13-.
What are the key properties of (3Z,5E,9E,13Z)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol?
(3Z,5E,9E,13Z)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-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 (3Z,5E,9E,13Z)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol is sourced from PubChem (CID 20839162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).