(1R,5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-ol

C20H34O2 — CID 11652450

IUPAC(1R,5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-ol
SMILESCC(C)=CCC/C(C)=C/CC[C@](C)(O)[C@@H]1CC=C(C)[C@H](O)C1
InChIInChI=1S/C20H34O2/c1-15(2)8-6-9-16(3)10-7-13-20(5,22)18-12-11-17(4)19(21)14-18/h8,10-11,18-19,21-22H,6-7,9,12-14H2,1-5H3/b16-10+/t18-,19-,20+/m1/s1
InChIKeyFHCCVBIVOLVOIX-XQZCNDCZSA-N
MW306.49 g/mol
LogP4.93
Rot. Bonds7

About (1R,5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-ol

(1R,5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-ol (PubChem CID 11652450) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (1R,5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-ol
PubChem CID11652450
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name(1R,5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-ol
SMILESCC(C)=CCC/C(C)=C/CC[C@](C)(O)[C@@H]1CC=C(C)[C@H](O)C1
InChIInChI=1S/C20H34O2/c1-15(2)8-6-9-16(3)10-7-13-20(5,22)18-12-11-17(4)19(21)14-18/h8,10-11,18-19,21-22H,6-7,9,12-14H2,1-5H3/b16-10+/t18-,19-,20+/m1/s1
InChIKeyFHCCVBIVOLVOIX-XQZCNDCZSA-N
XLogP4.93
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-ol with MolForge

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Related Compounds

Sobrerol
CID 91463
p-Menth-1-en-3-ol
CID 10282
cis-Piperitol
CID 85567
Camelliol C
CID 6476390
(1S,6S)-3-methyl-6-(propan-2-yl)cyclohex-2-en-1-ol
CID 12314336
trans-Sobrerol
CID 854498
2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1R,6R)-rel-
CID 85568
Cembra-2,7,11-triene-4,6-diol
CID 11109567
4-(2-Hydroxy-2-propyl)cyclohexene-1-methanol
CID 110662
(1S,2E,4R,6R,7E,11E)-2,7,11-Cembratriene-4,6-Diol
CID 10946717
Vetivenol
CID 3085365
2-Cyclohexen-1-ol, 2,6-dimethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
CID 90092947

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-ol?
The IUPAC name of (1R,5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-ol (CID 11652450) is (1R,5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-ol.
What is the SMILES notation for (1R,5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-ol?
The canonical SMILES for (1R,5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-ol is CC(C)=CCC/C(C)=C/CC[C@](C)(O)[C@@H]1CC=C(C)[C@H](O)C1.
What is the InChIKey of (1R,5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-ol?
The InChIKey is FHCCVBIVOLVOIX-XQZCNDCZSA-N. The full InChI is InChI=1S/C20H34O2/c1-15(2)8-6-9-16(3)10-7-13-20(5,22)18-12-11-17(4)19(21)14-18/h8,10-11,18-19,21-22H,6-7,9,12-14H2,1-5H3/b16-10+/t18-,19-,20+/m1/s1.
What are the key properties of (1R,5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-ol?
(1R,5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-ol has a molecular weight of 306.49 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 11652450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).