trans-(1S,3S)-3-methyl-1-prop-2-enylcyclopentan-1-ol

C9H16O — CID 58779238

IUPACtrans-(1S,3S)-3-methyl-1-prop-2-enylcyclopentan-1-ol
SMILESC=CC[C@@]1(O)CC[C@H](C)C1
InChIInChI=1S/C9H16O/c1-3-5-9(10)6-4-8(2)7-9/h3,8,10H,1,4-7H2,2H3/t8-,9+/m0/s1
InChIKeyXRBKXPDKGCDRHF-DTWKUNHWSA-N
MW140.23 g/mol
LogP2.11
Rot. Bonds2

About trans-(1S,3S)-3-methyl-1-prop-2-enylcyclopentan-1-ol

trans-(1S,3S)-3-methyl-1-prop-2-enylcyclopentan-1-ol (PubChem CID 58779238) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is trans-(1S,3S)-3-methyl-1-prop-2-enylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,3S)-3-methyl-1-prop-2-enylcyclopentan-1-ol
PubChem CID58779238
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Nametrans-(1S,3S)-3-methyl-1-prop-2-enylcyclopentan-1-ol
SMILESC=CC[C@@]1(O)CC[C@H](C)C1
InChIInChI=1S/C9H16O/c1-3-5-9(10)6-4-8(2)7-9/h3,8,10H,1,4-7H2,2H3/t8-,9+/m0/s1
InChIKeyXRBKXPDKGCDRHF-DTWKUNHWSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-methyl-1-prop-2-enylcyclopentan-1-ol?
The IUPAC name of trans-(1S,3S)-3-methyl-1-prop-2-enylcyclopentan-1-ol (CID 58779238) is trans-(1S,3S)-3-methyl-1-prop-2-enylcyclopentan-1-ol.
What is the SMILES notation for trans-(1S,3S)-3-methyl-1-prop-2-enylcyclopentan-1-ol?
The canonical SMILES for trans-(1S,3S)-3-methyl-1-prop-2-enylcyclopentan-1-ol is C=CC[C@@]1(O)CC[C@H](C)C1.
What is the InChIKey of trans-(1S,3S)-3-methyl-1-prop-2-enylcyclopentan-1-ol?
The InChIKey is XRBKXPDKGCDRHF-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H16O/c1-3-5-9(10)6-4-8(2)7-9/h3,8,10H,1,4-7H2,2H3/t8-,9+/m0/s1.
What are the key properties of trans-(1S,3S)-3-methyl-1-prop-2-enylcyclopentan-1-ol?
trans-(1S,3S)-3-methyl-1-prop-2-enylcyclopentan-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-methyl-1-prop-2-enylcyclopentan-1-ol is sourced from PubChem (CID 58779238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).