cis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane

C13H32 — CID 142244795

IUPACcis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane
SMILESC.C.CC.CC1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C9H18.C2H6.2CH4/c1-7-5-4-6-8(2)9(7)3;1-2;;/h7-9H,4-6H2,1-3H3;1-2H3;2*1H4/t7-,8+,9?;;;
InChIKeyHYLCSNJWSLZMKV-BGYWVRPISA-N
MW188.40 g/mol
LogP5.38
Rot. Bonds

About cis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane

cis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane (PubChem CID 142244795) has the molecular formula C13H32 and a molecular weight of 188.40 g/mol. Its IUPAC name is cis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane.

Molecular Properties

Compound Namecis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane
PubChem CID142244795
Molecular FormulaC13H32
Molecular Weight188.40 g/mol
Exact Mass188.25
IUPAC Namecis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane
SMILESC.C.CC.CC1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C9H18.C2H6.2CH4/c1-7-5-4-6-8(2)9(7)3;1-2;;/h7-9H,4-6H2,1-3H3;1-2H3;2*1H4/t7-,8+,9?;;;
InChIKeyHYLCSNJWSLZMKV-BGYWVRPISA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500188.40
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Methyl-4-isopropylcyclohexane
CID 7459
Isopropylcyclohexane
CID 12763
1,3-Dimethylcyclohexane
CID 11564
Pentylcyclohexane
CID 20284
1,2,4-Trimethylcyclohexane
CID 91517
sec-Butylcyclohexane
CID 23468
Cyclohexane, 1-methyl-3-(1-methylethyl)-
CID 27938
1,1,2-Trimethylcyclohexane
CID 35363
1,3,5-Trimethylcyclohexane
CID 35364
1-Methyl-2-propylcyclohexane
CID 107252
Hexylcyclohexane
CID 20283
Octylcyclohexane
CID 15712

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane?
The IUPAC name of cis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane (CID 142244795) is cis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane.
What is the SMILES notation for cis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane?
The canonical SMILES for cis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane is C.C.CC.CC1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of cis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane?
The InChIKey is HYLCSNJWSLZMKV-BGYWVRPISA-N. The full InChI is InChI=1S/C9H18.C2H6.2CH4/c1-7-5-4-6-8(2)9(7)3;1-2;;/h7-9H,4-6H2,1-3H3;1-2H3;2*1H4/t7-,8+,9?;;;.
What are the key properties of cis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane?
cis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane has a molecular weight of 188.40 g/mol, XLogP of 5.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane is sourced from PubChem (CID 142244795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).