4-[(2,2,3-trimethylcyclopent-3-en-1-yl)methoxy]butan-2-ol

C13H24O2 — CID 118364177

IUPAC4-[(2,2,3-trimethylcyclopent-3-en-1-yl)methoxy]butan-2-ol
SMILESCC1=CCC(COCCC(C)O)C1(C)C
InChIInChI=1S/C13H24O2/c1-10-5-6-12(13(10,3)4)9-15-8-7-11(2)14/h5,11-12,14H,6-9H2,1-4H3
InChIKeyCNRINXOYUZNZGC-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.77
Rot. Bonds5

About 4-[(2,2,3-trimethylcyclopent-3-en-1-yl)methoxy]butan-2-ol

4-[(2,2,3-trimethylcyclopent-3-en-1-yl)methoxy]butan-2-ol (PubChem CID 118364177) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 4-[(2,2,3-trimethylcyclopent-3-en-1-yl)methoxy]butan-2-ol.

Molecular Properties

Compound Name4-[(2,2,3-trimethylcyclopent-3-en-1-yl)methoxy]butan-2-ol
PubChem CID118364177
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name4-[(2,2,3-trimethylcyclopent-3-en-1-yl)methoxy]butan-2-ol
SMILESCC1=CCC(COCCC(C)O)C1(C)C
InChIInChI=1S/C13H24O2/c1-10-5-6-12(13(10,3)4)9-15-8-7-11(2)14/h5,11-12,14H,6-9H2,1-4H3
InChIKeyCNRINXOYUZNZGC-UHFFFAOYSA-N
XLogP2.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(2,2,3-trimethylcyclopent-3-en-1-yl)methoxy]butan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

alpha-CAMPHOLENOL
CID 61284
2-((1R)-2,2,4-Trimethylcyclopent-3-en-1-yl)ethan-1-ol
CID 15348625
Eutypeterpene P
CID 170988913
Eutypeterpene Q
CID 170988914
3-Cyclopentene-1-ethanol, 2,2,4-trimethyl-
CID 565700
(+)-Campholenol
CID 23623698
3-[(2S)-5-tert-butyl-2-methyl-2H-furan-5-yl]but-3-en-2-ol
CID 134971769
3-Cyclopentene-1-ethanol, 2,2,3-trimethyl-, (S)-
CID 12302352
[1-(Hydroxymethyl)-4,6-dimethylcyclohex-3-en-1-yl]methanol
CID 250467
(2,2,3-Trimethylcyclopent-3-enyl)methanol
CID 10953602
1-(2,2,3-Trimethylcyclopent-3-en-1-yl)propan-2-ol
CID 15219079
(3S,4R)-4-tert-butyl-2,6-dimethylhept-5-en-3-ol
CID 11084822

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,3-trimethylcyclopent-3-en-1-yl)methoxy]butan-2-ol?
The IUPAC name of 4-[(2,2,3-trimethylcyclopent-3-en-1-yl)methoxy]butan-2-ol (CID 118364177) is 4-[(2,2,3-trimethylcyclopent-3-en-1-yl)methoxy]butan-2-ol.
What is the SMILES notation for 4-[(2,2,3-trimethylcyclopent-3-en-1-yl)methoxy]butan-2-ol?
The canonical SMILES for 4-[(2,2,3-trimethylcyclopent-3-en-1-yl)methoxy]butan-2-ol is CC1=CCC(COCCC(C)O)C1(C)C.
What is the InChIKey of 4-[(2,2,3-trimethylcyclopent-3-en-1-yl)methoxy]butan-2-ol?
The InChIKey is CNRINXOYUZNZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-10-5-6-12(13(10,3)4)9-15-8-7-11(2)14/h5,11-12,14H,6-9H2,1-4H3.
What are the key properties of 4-[(2,2,3-trimethylcyclopent-3-en-1-yl)methoxy]butan-2-ol?
4-[(2,2,3-trimethylcyclopent-3-en-1-yl)methoxy]butan-2-ol has a molecular weight of 212.33 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,3-trimethylcyclopent-3-en-1-yl)methoxy]butan-2-ol is sourced from PubChem (CID 118364177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).