1-(1,2,2,3-tetramethylcyclopentyl)prop-2-en-1-ol

C12H22O — CID 12621291

IUPAC1-(1,2,2,3-tetramethylcyclopentyl)prop-2-en-1-ol
SMILESC=CC(O)C1(C)CCC(C)C1(C)C
InChIInChI=1S/C12H22O/c1-6-10(13)12(5)8-7-9(2)11(12,3)4/h6,9-10,13H,1,7-8H2,2-5H3
InChIKeySWMTZWAGCPRYJX-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.00
Rot. Bonds2

About 1-(1,2,2,3-tetramethylcyclopentyl)prop-2-en-1-ol

1-(1,2,2,3-tetramethylcyclopentyl)prop-2-en-1-ol (PubChem CID 12621291) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(1,2,2,3-tetramethylcyclopentyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(1,2,2,3-tetramethylcyclopentyl)prop-2-en-1-ol
PubChem CID12621291
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-(1,2,2,3-tetramethylcyclopentyl)prop-2-en-1-ol
SMILESC=CC(O)C1(C)CCC(C)C1(C)C
InChIInChI=1S/C12H22O/c1-6-10(13)12(5)8-7-9(2)11(12,3)4/h6,9-10,13H,1,7-8H2,2-5H3
InChIKeySWMTZWAGCPRYJX-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-1-(1,2,2,3-tetramethylcyclopentyl)ethanol;methylidene(sulfanylidene)azanium
CID 6364996
1,2,2,3-tetramethyl-1-pentan-2-ylcyclopentane
CID 123500106
1-(1-methylcyclopentyl)prop-2-en-1-ol
CID 115814911
[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]methanol
CID 7054243
1,2-dimethylcyclobutan-1-amine;formic acid
CID 175124192
trans-(1R,3S)-1,2,2,3-tetramethylcyclopentan-1-amine
CID 55289923
(2S)-1,1,2-trimethylcyclobutane
CID 59954523
1-[1-(1-hydroxyprop-2-enyl)cyclohexyl]prop-2-en-1-ol
CID 57165593
3-but-3-en-2-yl-1-methylcyclopentan-1-ol
CID 123602415
trans-(3R,6R)-1-[(Z)-3-hydroxybut-1-enyl]-2,2,3,6-tetramethylcyclohexan-1-ol
CID 67390139
trans-(1S,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylate
CID 7054090
1-[(1S,3R)-1-hydroxy-2,2,3-trimethylcyclopentyl]ethanone
CID 134856008

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2,3-tetramethylcyclopentyl)prop-2-en-1-ol?
The IUPAC name of 1-(1,2,2,3-tetramethylcyclopentyl)prop-2-en-1-ol (CID 12621291) is 1-(1,2,2,3-tetramethylcyclopentyl)prop-2-en-1-ol.
What is the SMILES notation for 1-(1,2,2,3-tetramethylcyclopentyl)prop-2-en-1-ol?
The canonical SMILES for 1-(1,2,2,3-tetramethylcyclopentyl)prop-2-en-1-ol is C=CC(O)C1(C)CCC(C)C1(C)C.
What is the InChIKey of 1-(1,2,2,3-tetramethylcyclopentyl)prop-2-en-1-ol?
The InChIKey is SWMTZWAGCPRYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-6-10(13)12(5)8-7-9(2)11(12,3)4/h6,9-10,13H,1,7-8H2,2-5H3.
What are the key properties of 1-(1,2,2,3-tetramethylcyclopentyl)prop-2-en-1-ol?
1-(1,2,2,3-tetramethylcyclopentyl)prop-2-en-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2,3-tetramethylcyclopentyl)prop-2-en-1-ol is sourced from PubChem (CID 12621291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).