trans-(1R,2S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(hydroxymethyl)cyclopentan-1-ol

C17H30O2 — CID 10423056

IUPACtrans-(1R,2S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(hydroxymethyl)cyclopentan-1-ol
SMILESCC(C)=CCC/C(C)=C/CC[C@]1(CO)CCC[C@H]1O
InChIInChI=1S/C17H30O2/c1-14(2)7-4-8-15(3)9-5-11-17(13-18)12-6-10-16(17)19/h7,9,16,18-19H,4-6,8,10-13H2,1-3H3/b15-9+/t16-,17-/m1/s1
InChIKeyOIIVCVMROGJEAG-DKXBRRKKSA-N
MW266.42 g/mol
LogP3.98
Rot. Bonds7

About trans-(1R,2S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(hydroxymethyl)cyclopentan-1-ol

trans-(1R,2S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(hydroxymethyl)cyclopentan-1-ol (PubChem CID 10423056) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is trans-(1R,2S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(hydroxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(hydroxymethyl)cyclopentan-1-ol
PubChem CID10423056
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Nametrans-(1R,2S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(hydroxymethyl)cyclopentan-1-ol
SMILESCC(C)=CCC/C(C)=C/CC[C@]1(CO)CCC[C@H]1O
InChIInChI=1S/C17H30O2/c1-14(2)7-4-8-15(3)9-5-11-17(13-18)12-6-10-16(17)19/h7,9,16,18-19H,4-6,8,10-13H2,1-3H3/b15-9+/t16-,17-/m1/s1
InChIKeyOIIVCVMROGJEAG-DKXBRRKKSA-N
XLogP3.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trans-(1R,2S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(hydroxymethyl)cyclopentan-1-ol with MolForge

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Related Compounds

Sandalore
CID 103212
2-Hydroxytrichodiene
CID 122706455
(1S,3R,3aR,5E,9E,12aS)-3a,6,10-trimethyl-1-prop-1-en-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-3-ol
CID 51040260
(1S,3R,3aR,5E,12aS)-3a,6,10-trimethyl-1-prop-1-en-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-3-ol
CID 53322721
(1S,3S,3aR,5E,12aS)-3a,6,10-trimethyl-1-prop-1-en-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-3-ol
CID 53326633
3-Methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)butan-2-ol
CID 121232761
(1R,3E,7E,11S,12S,14S)-14-Hydroxy-3,7,18-Dolabellatriene
CID 51040050
(1S,3S,3aR,9E,12aS)-3a,6,10-trimethyl-1-prop-1-en-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-3-ol
CID 162961935
(1S,3R,3aR,9E,12aS)-3a,6,10-trimethyl-1-prop-1-en-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-3-ol
CID 162961936
Cyclopentanol, 2-(2-(2,2,3-trimethyl-3-cyclopenten-1-yl)ethyl)-
CID 106776
(1S,7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol
CID 11355589
1-[3-(2,2,3-Trimethylcyclopent-3-enyl)cyclohex-3-enyl]ethanol
CID 24771787

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(hydroxymethyl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(hydroxymethyl)cyclopentan-1-ol (CID 10423056) is trans-(1R,2S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(hydroxymethyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(hydroxymethyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(hydroxymethyl)cyclopentan-1-ol is CC(C)=CCC/C(C)=C/CC[C@]1(CO)CCC[C@H]1O.
What is the InChIKey of trans-(1R,2S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(hydroxymethyl)cyclopentan-1-ol?
The InChIKey is OIIVCVMROGJEAG-DKXBRRKKSA-N. The full InChI is InChI=1S/C17H30O2/c1-14(2)7-4-8-15(3)9-5-11-17(13-18)12-6-10-16(17)19/h7,9,16,18-19H,4-6,8,10-13H2,1-3H3/b15-9+/t16-,17-/m1/s1.
What are the key properties of trans-(1R,2S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(hydroxymethyl)cyclopentan-1-ol?
trans-(1R,2S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(hydroxymethyl)cyclopentan-1-ol has a molecular weight of 266.42 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(hydroxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 10423056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).