1-cyclooctyl-2-methylprop-2-en-1-ol

C12H22O — CID 115817273

IUPAC1-cyclooctyl-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)C1CCCCCCC1
InChIInChI=1S/C12H22O/c1-10(2)12(13)11-8-6-4-3-5-7-9-11/h11-13H,1,3-9H2,2H3
InChIKeyJEMYUOGQQPEKBX-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.28
Rot. Bonds2

About 1-cyclooctyl-2-methylprop-2-en-1-ol

1-cyclooctyl-2-methylprop-2-en-1-ol (PubChem CID 115817273) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-cyclooctyl-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name1-cyclooctyl-2-methylprop-2-en-1-ol
PubChem CID115817273
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-cyclooctyl-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)C1CCCCCCC1
InChIInChI=1S/C12H22O/c1-10(2)12(13)11-8-6-4-3-5-7-9-11/h11-13H,1,3-9H2,2H3
InChIKeyJEMYUOGQQPEKBX-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
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-methyl-1-(oxan-4-yl)prop-2-en-1-ol
CID 79189800
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1-cyclohexyl-4,4-dimethyl-2-methylidenepentane-1,3-diol
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(2E)-1-cyclohexyl-2-ethyl-3,4-dimethylpenta-2,4-dien-1-ol
CID 132529865
(1R,2S)-1-cyclohexyl-2-prop-1-en-2-ylpropane-1,3-diol
CID 101259468
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
1-cyclohex-3-en-1-yl-2-methylprop-2-en-1-ol
CID 79190134
(2R)-2-cycloheptyl-2-hydroxyacetic acid
CID 158640375
1-cyclohexyl-2-methylidenedodecan-1-ol
CID 101237279
(1-ethoxy-2-methylprop-2-enyl)cyclohexane
CID 139654619
tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate
CID 15091153
methyl 2-cyclododecyl-2-hydroxyacetate
CID 66287971

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-2-methylprop-2-en-1-ol?
The IUPAC name of 1-cyclooctyl-2-methylprop-2-en-1-ol (CID 115817273) is 1-cyclooctyl-2-methylprop-2-en-1-ol.
What is the SMILES notation for 1-cyclooctyl-2-methylprop-2-en-1-ol?
The canonical SMILES for 1-cyclooctyl-2-methylprop-2-en-1-ol is C=C(C)C(O)C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-2-methylprop-2-en-1-ol?
The InChIKey is JEMYUOGQQPEKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-10(2)12(13)11-8-6-4-3-5-7-9-11/h11-13H,1,3-9H2,2H3.
What are the key properties of 1-cyclooctyl-2-methylprop-2-en-1-ol?
1-cyclooctyl-2-methylprop-2-en-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-2-methylprop-2-en-1-ol is sourced from PubChem (CID 115817273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).