trans-(1R,2S)-2-butyl-1-methyl-3-methylidenecyclopentan-1-ol

C11H20O — CID 102075952

IUPACtrans-(1R,2S)-2-butyl-1-methyl-3-methylidenecyclopentan-1-ol
SMILESC=C1CC[C@@](C)(O)[C@H]1CCCC
InChIInChI=1S/C11H20O/c1-4-5-6-10-9(2)7-8-11(10,3)12/h10,12H,2,4-8H2,1,3H3/t10-,11+/m0/s1
InChIKeyJTEKNFCCSRJDJI-WDEREUQCSA-N
MW168.28 g/mol
LogP2.89
Rot. Bonds3

About trans-(1R,2S)-2-butyl-1-methyl-3-methylidenecyclopentan-1-ol

trans-(1R,2S)-2-butyl-1-methyl-3-methylidenecyclopentan-1-ol (PubChem CID 102075952) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is trans-(1R,2S)-2-butyl-1-methyl-3-methylidenecyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-butyl-1-methyl-3-methylidenecyclopentan-1-ol
PubChem CID102075952
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Nametrans-(1R,2S)-2-butyl-1-methyl-3-methylidenecyclopentan-1-ol
SMILESC=C1CC[C@@](C)(O)[C@H]1CCCC
InChIInChI=1S/C11H20O/c1-4-5-6-10-9(2)7-8-11(10,3)12/h10,12H,2,4-8H2,1,3H3/t10-,11+/m0/s1
InChIKeyJTEKNFCCSRJDJI-WDEREUQCSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.89
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-(1R,2S)-2-butyl-1-methyl-3-methylidenecyclopentan-1-ol?
The IUPAC name of trans-(1R,2S)-2-butyl-1-methyl-3-methylidenecyclopentan-1-ol (CID 102075952) is trans-(1R,2S)-2-butyl-1-methyl-3-methylidenecyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-butyl-1-methyl-3-methylidenecyclopentan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-butyl-1-methyl-3-methylidenecyclopentan-1-ol is C=C1CC[C@@](C)(O)[C@H]1CCCC.
What is the InChIKey of trans-(1R,2S)-2-butyl-1-methyl-3-methylidenecyclopentan-1-ol?
The InChIKey is JTEKNFCCSRJDJI-WDEREUQCSA-N. The full InChI is InChI=1S/C11H20O/c1-4-5-6-10-9(2)7-8-11(10,3)12/h10,12H,2,4-8H2,1,3H3/t10-,11+/m0/s1.
What are the key properties of trans-(1R,2S)-2-butyl-1-methyl-3-methylidenecyclopentan-1-ol?
trans-(1R,2S)-2-butyl-1-methyl-3-methylidenecyclopentan-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-butyl-1-methyl-3-methylidenecyclopentan-1-ol is sourced from PubChem (CID 102075952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).