trans-(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol

C9H16O — CID 135044254

IUPACtrans-(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol
SMILESC=C(C)[C@H]1CCC(C)[C@@H]1O
InChIInChI=1S/C9H16O/c1-6(2)8-5-4-7(3)9(8)10/h7-10H,1,4-5H2,2-3H3/t7?,8-,9+/m1/s1
InChIKeyCSSMTXGHVZADPO-ASODMVGOSA-N
MW140.23 g/mol
LogP1.97
Rot. Bonds1

About trans-(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol

trans-(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol (PubChem CID 135044254) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is trans-(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol
PubChem CID135044254
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Nametrans-(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol
SMILESC=C(C)[C@H]1CCC(C)[C@@H]1O
InChIInChI=1S/C9H16O/c1-6(2)8-5-4-7(3)9(8)10/h7-10H,1,4-5H2,2-3H3/t7?,8-,9+/m1/s1
InChIKeyCSSMTXGHVZADPO-ASODMVGOSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Chokol G
CID 180087
3-(4-Hydroxybut-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol
CID 14336615
2,10-Dimethyl-6-methylene-1,4-dodecanediol
CID 131753009
3,7-Dimethyl-7-octen-2-ol
CID 15559111
6,7-Dimethyloct-7-en-2-ol
CID 20287632
2,6,8-Trimethylnon-8-en-3-ol
CID 21455540
Cyclopentane, 1-hydroxymethyl-2-methyl-5-(1-methylethenyl)
CID 12634580
5,9-Dimethyl-9-decen-3-ol
CID 535090
2-Methyl-5-prop-1-en-2-ylcyclopentan-1-ol
CID 12835432
trans-(1R,2S)-4,4-dimethyl-2-prop-1-en-2-ylcyclopentan-1-ol
CID 11084100
[(1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclopentyl]methanol
CID 11768793
[(1S,3R)-3-Isopropyl-1-methyl-2-methylenecyclopentyl]methanol
CID 14136542

Frequently Asked Questions

What is the IUPAC name of trans-(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol?
The IUPAC name of trans-(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol (CID 135044254) is trans-(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol.
What is the SMILES notation for trans-(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol?
The canonical SMILES for trans-(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol is C=C(C)[C@H]1CCC(C)[C@@H]1O.
What is the InChIKey of trans-(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol?
The InChIKey is CSSMTXGHVZADPO-ASODMVGOSA-N. The full InChI is InChI=1S/C9H16O/c1-6(2)8-5-4-7(3)9(8)10/h7-10H,1,4-5H2,2-3H3/t7?,8-,9+/m1/s1.
What are the key properties of trans-(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol?
trans-(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol has a molecular weight of 140.23 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol is sourced from PubChem (CID 135044254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).