(2R)-1-chloro-4-[(6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]butan-2-ol

C14H25ClO — CID 135040007

IUPAC(2R)-1-chloro-4-[(6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]butan-2-ol
SMILESCC(C)C1C=C(CC[C@@H](O)CCl)[C@H](C)CC1
InChIInChI=1S/C14H25ClO/c1-10(2)12-5-4-11(3)13(8-12)6-7-14(16)9-15/h8,10-12,14,16H,4-7,9H2,1-3H3/t11-,12?,14-/m1/s1
InChIKeyVWJSVWFVJZULMW-YXHCSQSYSA-N
MW244.81 g/mol
LogP3.99
Rot. Bonds5

About (2R)-1-chloro-4-[(6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]butan-2-ol

(2R)-1-chloro-4-[(6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]butan-2-ol (PubChem CID 135040007) has the molecular formula C14H25ClO and a molecular weight of 244.81 g/mol. Its IUPAC name is (2R)-1-chloro-4-[(6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-chloro-4-[(6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]butan-2-ol
PubChem CID135040007
Molecular FormulaC14H25ClO
Molecular Weight244.81 g/mol
Exact Mass244.16
IUPAC Name(2R)-1-chloro-4-[(6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]butan-2-ol
SMILESCC(C)C1C=C(CC[C@@H](O)CCl)[C@H](C)CC1
InChIInChI=1S/C14H25ClO/c1-10(2)12-5-4-11(3)13(8-12)6-7-14(16)9-15/h8,10-12,14,16H,4-7,9H2,1-3H3/t11-,12?,14-/m1/s1
InChIKeyVWJSVWFVJZULMW-YXHCSQSYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.81
LogP ≤ 53.99
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

4-Chloro-5-(cyclohexen-1-yl)-3-fluorohexan-2-ol
CID 153333915
3-Chloro-5-(cyclohexen-1-yl)-4-fluorohexan-2-ol
CID 153333928
(2S)-1-(3-chlorocyclohex-3-en-1-yl)-5-fluoro-2-methylheptan-1-ol
CID 164122382
(2R)-1-chloro-4-[(3S,6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]butan-2-ol
CID 44222067
(4R,6S)-2-(chloromethyl)-6,10-dimethylundeca-1,9-dien-4-ol
CID 138977954
1,1,1-Trichloro-4-(4-methylcyclohex-3-en-1-yl)pent-4-en-2-ol
CID 13238440
cis-(1R,2S)-2-[(6-chlorocyclohexa-1,4-dien-1-yl)methyl]cyclopentan-1-ol
CID 56983155
6-Chloro-2-(3,7-dimethyloctyl)-4-methylcyclohexa-2,4-dien-1-ol
CID 68017521
4-(2-Chlorobutan-2-yl)cyclohex-3-en-1-ol
CID 70505001
1-[(4S)-3,4-dichloro-4-methylcyclohex-2-en-1-yl]pentan-2-ol
CID 71163771
1-Bromo-8-chloro-6,13-dimethyltetradeca-1,12-diene-2,9-diol
CID 88744708
2-[Chloro-(3-chloro-6-methylcyclohexa-1,3-dien-1-yl)methyl]-3-methylbutan-1-ol
CID 118281655

Frequently Asked Questions

What is the IUPAC name of (2R)-1-chloro-4-[(6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]butan-2-ol?
The IUPAC name of (2R)-1-chloro-4-[(6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]butan-2-ol (CID 135040007) is (2R)-1-chloro-4-[(6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]butan-2-ol.
What is the SMILES notation for (2R)-1-chloro-4-[(6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]butan-2-ol?
The canonical SMILES for (2R)-1-chloro-4-[(6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]butan-2-ol is CC(C)C1C=C(CC[C@@H](O)CCl)[C@H](C)CC1.
What is the InChIKey of (2R)-1-chloro-4-[(6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]butan-2-ol?
The InChIKey is VWJSVWFVJZULMW-YXHCSQSYSA-N. The full InChI is InChI=1S/C14H25ClO/c1-10(2)12-5-4-11(3)13(8-12)6-7-14(16)9-15/h8,10-12,14,16H,4-7,9H2,1-3H3/t11-,12?,14-/m1/s1.
What are the key properties of (2R)-1-chloro-4-[(6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]butan-2-ol?
(2R)-1-chloro-4-[(6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]butan-2-ol has a molecular weight of 244.81 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-chloro-4-[(6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]butan-2-ol is sourced from PubChem (CID 135040007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).