2-chloro-3-methyl-6-prop-1-en-2-ylcyclohexan-1-ol

C10H17ClO — CID 71333601

IUPAC2-chloro-3-methyl-6-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)C1CCC(C)C(Cl)C1O
InChIInChI=1S/C10H17ClO/c1-6(2)8-5-4-7(3)9(11)10(8)12/h7-10,12H,1,4-5H2,2-3H3
InChIKeyNGYIRNJZLFJMGD-UHFFFAOYSA-N
MW188.70 g/mol
LogP2.58
Rot. Bonds1

About 2-chloro-3-methyl-6-prop-1-en-2-ylcyclohexan-1-ol

2-chloro-3-methyl-6-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 71333601) has the molecular formula C10H17ClO and a molecular weight of 188.70 g/mol. Its IUPAC name is 2-chloro-3-methyl-6-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-chloro-3-methyl-6-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID71333601
Molecular FormulaC10H17ClO
Molecular Weight188.70 g/mol
Exact Mass188.10
IUPAC Name2-chloro-3-methyl-6-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)C1CCC(C)C(Cl)C1O
InChIInChI=1S/C10H17ClO/c1-6(2)8-5-4-7(3)9(11)10(8)12/h7-10,12H,1,4-5H2,2-3H3
InChIKeyNGYIRNJZLFJMGD-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2S,5R)-2-methyl-5-prop-1-en-2-ylcyclopentyl]methanol
CID 129321353
(2-methyl-5-prop-1-en-2-ylcyclopentyl)methanol
CID 12634580
cis-(1R,2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(1S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 161332933
trans-(2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 130904144
trans-(1S,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 10909792
(1S,4R,4aR,5R,6R,8aS)-4,8a-dimethyl-6-prop-1-en-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1,5-diol
CID 54754034
3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine
CID 70333286
trans-(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclohexane
CID 163550244
2-[(1S,2R,5S)-2-methyl-5-prop-1-en-2-ylcyclopentyl]prop-2-enal
CID 10464893
1,2,5-trimethyl-3-prop-1-en-2-ylcyclohexane
CID 90909258
2-(2,6-dimethyl-3-prop-1-en-2-ylcyclohexyl)ethanol
CID 130148274
methyl (1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 46899996

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-6-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of 2-chloro-3-methyl-6-prop-1-en-2-ylcyclohexan-1-ol (CID 71333601) is 2-chloro-3-methyl-6-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-chloro-3-methyl-6-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-chloro-3-methyl-6-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)C1CCC(C)C(Cl)C1O.
What is the InChIKey of 2-chloro-3-methyl-6-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is NGYIRNJZLFJMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO/c1-6(2)8-5-4-7(3)9(11)10(8)12/h7-10,12H,1,4-5H2,2-3H3.
What are the key properties of 2-chloro-3-methyl-6-prop-1-en-2-ylcyclohexan-1-ol?
2-chloro-3-methyl-6-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 188.70 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-6-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 71333601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).