cis-(3R,5S)-1-[(3R)-2,4-dimethyl-3-propan-2-ylhexyl]-3,5-dimethylcyclohexane

C19H38 — CID 142072812

IUPACcis-(3R,5S)-1-[(3R)-2,4-dimethyl-3-propan-2-ylhexyl]-3,5-dimethylcyclohexane
SMILESCCC(C)[C@@H](C(C)C)C(C)CC1C[C@@H](C)C[C@@H](C)C1
InChIInChI=1S/C19H38/c1-8-16(6)19(13(2)3)17(7)12-18-10-14(4)9-15(5)11-18/h13-19H,8-12H2,1-7H3/t14-,15+,16?,17?,18?,19-/m1/s1
InChIKeyFBJRDZLENARTLD-VYDGUREGSA-N
MW266.51 g/mol
LogP6.40
Rot. Bonds6

About cis-(3R,5S)-1-[(3R)-2,4-dimethyl-3-propan-2-ylhexyl]-3,5-dimethylcyclohexane

cis-(3R,5S)-1-[(3R)-2,4-dimethyl-3-propan-2-ylhexyl]-3,5-dimethylcyclohexane (PubChem CID 142072812) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is cis-(3R,5S)-1-[(3R)-2,4-dimethyl-3-propan-2-ylhexyl]-3,5-dimethylcyclohexane.

Molecular Properties

Compound Namecis-(3R,5S)-1-[(3R)-2,4-dimethyl-3-propan-2-ylhexyl]-3,5-dimethylcyclohexane
PubChem CID142072812
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Namecis-(3R,5S)-1-[(3R)-2,4-dimethyl-3-propan-2-ylhexyl]-3,5-dimethylcyclohexane
SMILESCCC(C)[C@@H](C(C)C)C(C)CC1C[C@@H](C)C[C@@H](C)C1
InChIInChI=1S/C19H38/c1-8-16(6)19(13(2)3)17(7)12-18-10-14(4)9-15(5)11-18/h13-19H,8-12H2,1-7H3/t14-,15+,16?,17?,18?,19-/m1/s1
InChIKeyFBJRDZLENARTLD-VYDGUREGSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.51
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze cis-(3R,5S)-1-[(3R)-2,4-dimethyl-3-propan-2-ylhexyl]-3,5-dimethylcyclohexane with MolForge

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Related Compounds

1-(3,5-dimethylcyclohexyl)propan-2-amine
CID 70312991
1-(3,5-dimethylcyclohexyl)-2-methylbutan-1-ol
CID 64731273
(1S,3R,5R)-3-methyl-5-(2-methylpropyl)cyclohexan-1-ol
CID 121406246
(5R)-1-(3,4-dimethylpentyl)-3,5-dimethylcyclohexane
CID 144902537
(3R)-3-methyl-5-(2-methylpropyl)cyclohexan-1-ol
CID 145106733
1-(4,6-dimethyloctan-2-yl)-3-methylcyclobutane
CID 123289124
1-(4,7-dimethylnonan-2-yl)-3-methylcyclobutane
CID 123489822
N,3,5-trimethyl-4-propan-2-ylheptan-1-imine
CID 123261638
1-methyl-3-(3-methylhexyl)cyclobutane
CID 90803912
3-ethyl-2,5-dimethyl-4-propan-2-ylheptane
CID 57493037
1,3-dimethyl-5-propylcyclohexane
CID 13144142
1-methyl-4-(2-methylbutyl)-2-propan-2-ylcyclopentane
CID 123749319

Frequently Asked Questions

What is the IUPAC name of cis-(3R,5S)-1-[(3R)-2,4-dimethyl-3-propan-2-ylhexyl]-3,5-dimethylcyclohexane?
The IUPAC name of cis-(3R,5S)-1-[(3R)-2,4-dimethyl-3-propan-2-ylhexyl]-3,5-dimethylcyclohexane (CID 142072812) is cis-(3R,5S)-1-[(3R)-2,4-dimethyl-3-propan-2-ylhexyl]-3,5-dimethylcyclohexane.
What is the SMILES notation for cis-(3R,5S)-1-[(3R)-2,4-dimethyl-3-propan-2-ylhexyl]-3,5-dimethylcyclohexane?
The canonical SMILES for cis-(3R,5S)-1-[(3R)-2,4-dimethyl-3-propan-2-ylhexyl]-3,5-dimethylcyclohexane is CCC(C)[C@@H](C(C)C)C(C)CC1C[C@@H](C)C[C@@H](C)C1.
What is the InChIKey of cis-(3R,5S)-1-[(3R)-2,4-dimethyl-3-propan-2-ylhexyl]-3,5-dimethylcyclohexane?
The InChIKey is FBJRDZLENARTLD-VYDGUREGSA-N. The full InChI is InChI=1S/C19H38/c1-8-16(6)19(13(2)3)17(7)12-18-10-14(4)9-15(5)11-18/h13-19H,8-12H2,1-7H3/t14-,15+,16?,17?,18?,19-/m1/s1.
What are the key properties of cis-(3R,5S)-1-[(3R)-2,4-dimethyl-3-propan-2-ylhexyl]-3,5-dimethylcyclohexane?
cis-(3R,5S)-1-[(3R)-2,4-dimethyl-3-propan-2-ylhexyl]-3,5-dimethylcyclohexane has a molecular weight of 266.51 g/mol, XLogP of 6.40, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3R,5S)-1-[(3R)-2,4-dimethyl-3-propan-2-ylhexyl]-3,5-dimethylcyclohexane is sourced from PubChem (CID 142072812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).