(1R,2E,4S,6E,10Z,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-triene-1,4-diol

C20H32O2 — CID 162915080

IUPAC(1R,2E,4S,6E,10Z,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-triene-1,4-diol
SMILESC=C(C)[C@H]1C/C=C(/C)CC/C=C(\C)C[C@H](O)/C=C(\C)[C@H](O)C1
InChIInChI=1S/C20H32O2/c1-14(2)18-10-9-15(3)7-6-8-16(4)11-19(21)12-17(5)20(22)13-18/h8-9,12,18-22H,1,6-7,10-11,13H2,2-5H3/b15-9-,16-8+,17-12+/t18-,19-,20+/m0/s1
InChIKeyGNHCOOWDEKAJLG-HRTQEBAVSA-N
MW304.47 g/mol
LogP4.70
Rot. Bonds1

About (1R,2E,4S,6E,10Z,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-triene-1,4-diol

(1R,2E,4S,6E,10Z,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-triene-1,4-diol (PubChem CID 162915080) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (1R,2E,4S,6E,10Z,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-triene-1,4-diol.

Molecular Properties

Compound Name(1R,2E,4S,6E,10Z,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-triene-1,4-diol
PubChem CID162915080
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(1R,2E,4S,6E,10Z,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-triene-1,4-diol
SMILESC=C(C)[C@H]1C/C=C(/C)CC/C=C(\C)C[C@H](O)/C=C(\C)[C@H](O)C1
InChIInChI=1S/C20H32O2/c1-14(2)18-10-9-15(3)7-6-8-16(4)11-19(21)12-17(5)20(22)13-18/h8-9,12,18-22H,1,6-7,10-11,13H2,2-5H3/b15-9-,16-8+,17-12+/t18-,19-,20+/m0/s1
InChIKeyGNHCOOWDEKAJLG-HRTQEBAVSA-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

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CID 439410

Frequently Asked Questions

What is the IUPAC name of (1R,2E,4S,6E,10Z,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-triene-1,4-diol?
The IUPAC name of (1R,2E,4S,6E,10Z,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-triene-1,4-diol (CID 162915080) is (1R,2E,4S,6E,10Z,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-triene-1,4-diol.
What is the SMILES notation for (1R,2E,4S,6E,10Z,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-triene-1,4-diol?
The canonical SMILES for (1R,2E,4S,6E,10Z,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-triene-1,4-diol is C=C(C)[C@H]1C/C=C(/C)CC/C=C(\C)C[C@H](O)/C=C(\C)[C@H](O)C1.
What is the InChIKey of (1R,2E,4S,6E,10Z,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-triene-1,4-diol?
The InChIKey is GNHCOOWDEKAJLG-HRTQEBAVSA-N. The full InChI is InChI=1S/C20H32O2/c1-14(2)18-10-9-15(3)7-6-8-16(4)11-19(21)12-17(5)20(22)13-18/h8-9,12,18-22H,1,6-7,10-11,13H2,2-5H3/b15-9-,16-8+,17-12+/t18-,19-,20+/m0/s1.
What are the key properties of (1R,2E,4S,6E,10Z,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-triene-1,4-diol?
(1R,2E,4S,6E,10Z,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-triene-1,4-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,2E,4S,6E,10Z,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-triene-1,4-diol is sourced from PubChem (CID 162915080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).