(4S,6R)-6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene

C10H15Cl — CID 11789656

IUPAC(4S,6R)-6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)[C@H]1CC=C(C)[C@H](Cl)C1
InChIInChI=1S/C10H15Cl/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-10H,1,5-6H2,2-3H3/t9-,10+/m0/s1
InChIKeyGRROGOVISQZGNO-VHSXEESVSA-N
MW170.68 g/mol
LogP3.53
Rot. Bonds1

About (4S,6R)-6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene

(4S,6R)-6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene (PubChem CID 11789656) has the molecular formula C10H15Cl and a molecular weight of 170.68 g/mol. Its IUPAC name is (4S,6R)-6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name(4S,6R)-6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene
PubChem CID11789656
Molecular FormulaC10H15Cl
Molecular Weight170.68 g/mol
Exact Mass170.09
IUPAC Name(4S,6R)-6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)[C@H]1CC=C(C)[C@H](Cl)C1
InChIInChI=1S/C10H15Cl/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-10H,1,5-6H2,2-3H3/t9-,10+/m0/s1
InChIKeyGRROGOVISQZGNO-VHSXEESVSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.68
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

(4S,6R)-6-ethenoxy-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 14889719
[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] nitrite
CID 169007971
[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-methylprop-2-enoate
CID 118478440
(4R,6S)-6-deuterio-1-methyl-6-(2-methylpropyl)-4-prop-1-en-2-ylcyclohexene
CID 101382621
2-methyl-2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)propanenitrile
CID 140603206
(4R)-6-(2-isocyanopropan-2-yl)-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 123301417
ethyl (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-carboxylate
CID 102015354
N-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]aniline
CID 134905943
1-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]peroxyethanol
CID 140938951
dimethyl 2-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]propanedioate
CID 11821550
[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] prop-2-enoate
CID 118478416
1-methoxy-4-[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene
CID 101145229

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene?
The IUPAC name of (4S,6R)-6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene (CID 11789656) is (4S,6R)-6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for (4S,6R)-6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene?
The canonical SMILES for (4S,6R)-6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene is C=C(C)[C@H]1CC=C(C)[C@H](Cl)C1.
What is the InChIKey of (4S,6R)-6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene?
The InChIKey is GRROGOVISQZGNO-VHSXEESVSA-N. The full InChI is InChI=1S/C10H15Cl/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-10H,1,5-6H2,2-3H3/t9-,10+/m0/s1.
What are the key properties of (4S,6R)-6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene?
(4S,6R)-6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene has a molecular weight of 170.68 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 11789656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).