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

C20H32O2 — CID 11077582

IUPAC(1R,2R,3Z,5E,9E,13E)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol
SMILESC/C1=C\C=C(\C(C)C)[C@@H](O)[C@H](O)/C(C)=C/CC/C(C)=C/CC1
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-/t19-,20-/m1/s1
InChIKeyLBNWKNLAXODPTN-WMDYEEBDSA-N
MW304.47 g/mol
LogP4.70
Rot. Bonds1

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

(1R,2R,3Z,5E,9E,13E)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol (PubChem CID 11077582) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (1R,2R,3Z,5E,9E,13E)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol.

Molecular Properties

Compound Name(1R,2R,3Z,5E,9E,13E)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol
PubChem CID11077582
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(1R,2R,3Z,5E,9E,13E)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol
SMILESC/C1=C\C=C(\C(C)C)[C@@H](O)[C@H](O)/C(C)=C/CC/C(C)=C/CC1
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-/t19-,20-/m1/s1
InChIKeyLBNWKNLAXODPTN-WMDYEEBDSA-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 (1R,2R,3Z,5E,9E,13E)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3Z,5E,9E,13E)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol?
The IUPAC name of (1R,2R,3Z,5E,9E,13E)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol (CID 11077582) is (1R,2R,3Z,5E,9E,13E)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol.
What is the SMILES notation for (1R,2R,3Z,5E,9E,13E)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol?
The canonical SMILES for (1R,2R,3Z,5E,9E,13E)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol is C/C1=C\C=C(\C(C)C)[C@@H](O)[C@H](O)/C(C)=C/CC/C(C)=C/CC1.
What is the InChIKey of (1R,2R,3Z,5E,9E,13E)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol?
The InChIKey is LBNWKNLAXODPTN-WMDYEEBDSA-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-/t19-,20-/m1/s1.
What are the key properties of (1R,2R,3Z,5E,9E,13E)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol?
(1R,2R,3Z,5E,9E,13E)-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 (1R,2R,3Z,5E,9E,13E)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol is sourced from PubChem (CID 11077582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).