[1-methyl-2-[[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]methyl]cyclopropyl]methanol

C14H24O — CID 58281643

IUPAC[1-methyl-2-[[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]methyl]cyclopropyl]methanol
SMILESCC1=CC[C@H](CC2CC2(C)CO)C1(C)C
InChIInChI=1S/C14H24O/c1-10-5-6-11(13(10,2)3)7-12-8-14(12,4)9-15/h5,11-12,15H,6-9H2,1-4H3/t11-,12?,14?/m1/s1
InChIKeyVRBRHEQNWHWODP-LKSINWNRSA-N
MW208.34 g/mol
LogP3.39
Rot. Bonds3

About [1-methyl-2-[[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]methyl]cyclopropyl]methanol

[1-methyl-2-[[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]methyl]cyclopropyl]methanol (PubChem CID 58281643) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is [1-methyl-2-[[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-methyl-2-[[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]methyl]cyclopropyl]methanol
PubChem CID58281643
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name[1-methyl-2-[[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]methyl]cyclopropyl]methanol
SMILESCC1=CC[C@H](CC2CC2(C)CO)C1(C)C
InChIInChI=1S/C14H24O/c1-10-5-6-11(13(10,2)3)7-12-8-14(12,4)9-15/h5,11-12,15H,6-9H2,1-4H3/t11-,12?,14?/m1/s1
InChIKeyVRBRHEQNWHWODP-LKSINWNRSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.39
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 [1-methyl-2-[[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]methyl]cyclopropyl]methanol?
The IUPAC name of [1-methyl-2-[[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]methyl]cyclopropyl]methanol (CID 58281643) is [1-methyl-2-[[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-methyl-2-[[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-methyl-2-[[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]methyl]cyclopropyl]methanol is CC1=CC[C@H](CC2CC2(C)CO)C1(C)C.
What is the InChIKey of [1-methyl-2-[[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]methyl]cyclopropyl]methanol?
The InChIKey is VRBRHEQNWHWODP-LKSINWNRSA-N. The full InChI is InChI=1S/C14H24O/c1-10-5-6-11(13(10,2)3)7-12-8-14(12,4)9-15/h5,11-12,15H,6-9H2,1-4H3/t11-,12?,14?/m1/s1.
What are the key properties of [1-methyl-2-[[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]methyl]cyclopropyl]methanol?
[1-methyl-2-[[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]methyl]cyclopropyl]methanol has a molecular weight of 208.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-[[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]methyl]cyclopropyl]methanol is sourced from PubChem (CID 58281643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).