[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol

C11H20O — CID 14136542

IUPAC[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol
SMILESC=C1[C@@H](C(C)C)CC[C@]1(C)CO
InChIInChI=1S/C11H20O/c1-8(2)10-5-6-11(4,7-12)9(10)3/h8,10,12H,3,5-7H2,1-2,4H3/t10-,11-/m1/s1
InChIKeyBBVUJICPCDEFJP-GHMZBOCLSA-N
MW168.28 g/mol
LogP2.61
Rot. Bonds2

About [(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol

[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol (PubChem CID 14136542) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is [(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol
PubChem CID14136542
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol
SMILESC=C1[C@@H](C(C)C)CC[C@]1(C)CO
InChIInChI=1S/C11H20O/c1-8(2)10-5-6-11(4,7-12)9(10)3/h8,10,12H,3,5-7H2,1-2,4H3/t10-,11-/m1/s1
InChIKeyBBVUJICPCDEFJP-GHMZBOCLSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.61
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 [(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol?
The IUPAC name of [(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol (CID 14136542) is [(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol.
What is the SMILES notation for [(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol?
The canonical SMILES for [(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol is C=C1[C@@H](C(C)C)CC[C@]1(C)CO.
What is the InChIKey of [(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol?
The InChIKey is BBVUJICPCDEFJP-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H20O/c1-8(2)10-5-6-11(4,7-12)9(10)3/h8,10,12H,3,5-7H2,1-2,4H3/t10-,11-/m1/s1.
What are the key properties of [(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol?
[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol has a molecular weight of 168.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol is sourced from PubChem (CID 14136542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).