(1R,4E,8E)-5,9,13-trimethyl-1-[(2S)-2-methyloxolan-2-yl]tetradeca-4,8,12-trien-1-ol

C22H38O2 — CID 118727265

IUPAC(1R,4E,8E)-5,9,13-trimethyl-1-[(2S)-2-methyloxolan-2-yl]tetradeca-4,8,12-trien-1-ol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H](O)[C@]1(C)CCCO1
InChIInChI=1S/C22H38O2/c1-18(2)10-6-11-19(3)12-7-13-20(4)14-8-15-21(23)22(5)16-9-17-24-22/h10,12,14,21,23H,6-9,11,13,15-17H2,1-5H3/b19-12+,20-14+/t21-,22+/m1/s1
InChIKeyZAZQYTVKLWKJOE-PGYINGJCSA-N
MW334.54 g/mol
LogP6.12
Rot. Bonds10

About (1R,4E,8E)-5,9,13-trimethyl-1-[(2S)-2-methyloxolan-2-yl]tetradeca-4,8,12-trien-1-ol

(1R,4E,8E)-5,9,13-trimethyl-1-[(2S)-2-methyloxolan-2-yl]tetradeca-4,8,12-trien-1-ol (PubChem CID 118727265) has the molecular formula C22H38O2 and a molecular weight of 334.54 g/mol. Its IUPAC name is (1R,4E,8E)-5,9,13-trimethyl-1-[(2S)-2-methyloxolan-2-yl]tetradeca-4,8,12-trien-1-ol.

Molecular Properties

Compound Name(1R,4E,8E)-5,9,13-trimethyl-1-[(2S)-2-methyloxolan-2-yl]tetradeca-4,8,12-trien-1-ol
PubChem CID118727265
Molecular FormulaC22H38O2
Molecular Weight334.54 g/mol
Exact Mass334.29
IUPAC Name(1R,4E,8E)-5,9,13-trimethyl-1-[(2S)-2-methyloxolan-2-yl]tetradeca-4,8,12-trien-1-ol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H](O)[C@]1(C)CCCO1
InChIInChI=1S/C22H38O2/c1-18(2)10-6-11-19(3)12-7-13-20(4)14-8-15-21(23)22(5)16-9-17-24-22/h10,12,14,21,23H,6-9,11,13,15-17H2,1-5H3/b19-12+,20-14+/t21-,22+/m1/s1
InChIKeyZAZQYTVKLWKJOE-PGYINGJCSA-N
XLogP6.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.54
LogP ≤ 56.12
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (1R,4E,8E)-5,9,13-trimethyl-1-[(2S)-2-methyloxolan-2-yl]tetradeca-4,8,12-trien-1-ol?
The IUPAC name of (1R,4E,8E)-5,9,13-trimethyl-1-[(2S)-2-methyloxolan-2-yl]tetradeca-4,8,12-trien-1-ol (CID 118727265) is (1R,4E,8E)-5,9,13-trimethyl-1-[(2S)-2-methyloxolan-2-yl]tetradeca-4,8,12-trien-1-ol.
What is the SMILES notation for (1R,4E,8E)-5,9,13-trimethyl-1-[(2S)-2-methyloxolan-2-yl]tetradeca-4,8,12-trien-1-ol?
The canonical SMILES for (1R,4E,8E)-5,9,13-trimethyl-1-[(2S)-2-methyloxolan-2-yl]tetradeca-4,8,12-trien-1-ol is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H](O)[C@]1(C)CCCO1.
What is the InChIKey of (1R,4E,8E)-5,9,13-trimethyl-1-[(2S)-2-methyloxolan-2-yl]tetradeca-4,8,12-trien-1-ol?
The InChIKey is ZAZQYTVKLWKJOE-PGYINGJCSA-N. The full InChI is InChI=1S/C22H38O2/c1-18(2)10-6-11-19(3)12-7-13-20(4)14-8-15-21(23)22(5)16-9-17-24-22/h10,12,14,21,23H,6-9,11,13,15-17H2,1-5H3/b19-12+,20-14+/t21-,22+/m1/s1.
What are the key properties of (1R,4E,8E)-5,9,13-trimethyl-1-[(2S)-2-methyloxolan-2-yl]tetradeca-4,8,12-trien-1-ol?
(1R,4E,8E)-5,9,13-trimethyl-1-[(2S)-2-methyloxolan-2-yl]tetradeca-4,8,12-trien-1-ol has a molecular weight of 334.54 g/mol, XLogP of 6.12, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4E,8E)-5,9,13-trimethyl-1-[(2S)-2-methyloxolan-2-yl]tetradeca-4,8,12-trien-1-ol is sourced from PubChem (CID 118727265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).