(2S)-1,2-dichloro-1,2,3,3,4,4,5,5,6,6-decamethylcyclohexane

C16H30Cl2 — CID 70168091

IUPAC(2S)-1,2-dichloro-1,2,3,3,4,4,5,5,6,6-decamethylcyclohexane
SMILESCC1(C)C(C)(C)C(C)(C)[C@](C)(Cl)C(C)(Cl)C1(C)C
InChIInChI=1S/C16H30Cl2/c1-11(2)12(3,4)14(7,8)16(10,18)15(9,17)13(11,5)6/h1-10H3/t15-,16?/m0/s1
InChIKeyNDEJQLSQXPUBGG-VYRBHSGPSA-N
MW293.32 g/mol
LogP6.10
Rot. Bonds

About (2S)-1,2-dichloro-1,2,3,3,4,4,5,5,6,6-decamethylcyclohexane

(2S)-1,2-dichloro-1,2,3,3,4,4,5,5,6,6-decamethylcyclohexane (PubChem CID 70168091) has the molecular formula C16H30Cl2 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2S)-1,2-dichloro-1,2,3,3,4,4,5,5,6,6-decamethylcyclohexane.

Molecular Properties

Compound Name(2S)-1,2-dichloro-1,2,3,3,4,4,5,5,6,6-decamethylcyclohexane
PubChem CID70168091
Molecular FormulaC16H30Cl2
Molecular Weight293.32 g/mol
Exact Mass292.17
IUPAC Name(2S)-1,2-dichloro-1,2,3,3,4,4,5,5,6,6-decamethylcyclohexane
SMILESCC1(C)C(C)(C)C(C)(C)[C@](C)(Cl)C(C)(Cl)C1(C)C
InChIInChI=1S/C16H30Cl2/c1-11(2)12(3,4)14(7,8)16(10,18)15(9,17)13(11,5)6/h1-10H3/t15-,16?/m0/s1
InChIKeyNDEJQLSQXPUBGG-VYRBHSGPSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.32
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dichloro-1,2,3,3,4,4,5,5,6,6-decamethylcyclohexane?
The IUPAC name of (2S)-1,2-dichloro-1,2,3,3,4,4,5,5,6,6-decamethylcyclohexane (CID 70168091) is (2S)-1,2-dichloro-1,2,3,3,4,4,5,5,6,6-decamethylcyclohexane.
What is the SMILES notation for (2S)-1,2-dichloro-1,2,3,3,4,4,5,5,6,6-decamethylcyclohexane?
The canonical SMILES for (2S)-1,2-dichloro-1,2,3,3,4,4,5,5,6,6-decamethylcyclohexane is CC1(C)C(C)(C)C(C)(C)[C@](C)(Cl)C(C)(Cl)C1(C)C.
What is the InChIKey of (2S)-1,2-dichloro-1,2,3,3,4,4,5,5,6,6-decamethylcyclohexane?
The InChIKey is NDEJQLSQXPUBGG-VYRBHSGPSA-N. The full InChI is InChI=1S/C16H30Cl2/c1-11(2)12(3,4)14(7,8)16(10,18)15(9,17)13(11,5)6/h1-10H3/t15-,16?/m0/s1.
What are the key properties of (2S)-1,2-dichloro-1,2,3,3,4,4,5,5,6,6-decamethylcyclohexane?
(2S)-1,2-dichloro-1,2,3,3,4,4,5,5,6,6-decamethylcyclohexane has a molecular weight of 293.32 g/mol, XLogP of 6.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dichloro-1,2,3,3,4,4,5,5,6,6-decamethylcyclohexane is sourced from PubChem (CID 70168091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).