1-hexan-3-yl-3-methylcyclohexane

C13H26 — CID 143887329

IUPAC1-hexan-3-yl-3-methylcyclohexane
SMILESCCCC(CC)C1CCCC(C)C1
InChIInChI=1S/C13H26/c1-4-7-12(5-2)13-9-6-8-11(3)10-13/h11-13H,4-10H2,1-3H3
InChIKeyGSDNEPMPGNAKMW-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.64
Rot. Bonds4

About 1-hexan-3-yl-3-methylcyclohexane

1-hexan-3-yl-3-methylcyclohexane (PubChem CID 143887329) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-hexan-3-yl-3-methylcyclohexane.

Molecular Properties

Compound Name1-hexan-3-yl-3-methylcyclohexane
PubChem CID143887329
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-hexan-3-yl-3-methylcyclohexane
SMILESCCCC(CC)C1CCCC(C)C1
InChIInChI=1S/C13H26/c1-4-7-12(5-2)13-9-6-8-11(3)10-13/h11-13H,4-10H2,1-3H3
InChIKeyGSDNEPMPGNAKMW-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-(3-methylheptan-4-yl)cyclohexane
CID 147901007
1-[(2S)-2-[(1R,3R)-3-methylcyclohexyl]butyl]aziridine
CID 125464542
1-hexan-3-yl-4-methylcyclohexane;propane
CID 143181984
4-methyl-6-(3-methylcyclononyl)nonan-3-ol
CID 123945349
1-methyl-5-pentan-3-ylcyclooctane
CID 161233743
2-[(3R)-3-methylcyclohexyl]propane-1,3-diol;propane
CID 168973944
3-[(3R)-hexan-3-yl]bicyclo[3.3.1]nonane
CID 123239520
1-(1-bromopropyl)-3-methylcyclohexane
CID 79308612
1-(3-methylcyclohexyl)butane-1,2-diol
CID 103454489
3-methyl-1-(3-methylcyclohexyl)hexan-1-amine
CID 63414986
1-(3-methylcyclohexyl)pentan-1-amine
CID 62603972
1-(3-methylcyclohexyl)hexan-1-amine
CID 55210427

Frequently Asked Questions

What is the IUPAC name of 1-hexan-3-yl-3-methylcyclohexane?
The IUPAC name of 1-hexan-3-yl-3-methylcyclohexane (CID 143887329) is 1-hexan-3-yl-3-methylcyclohexane.
What is the SMILES notation for 1-hexan-3-yl-3-methylcyclohexane?
The canonical SMILES for 1-hexan-3-yl-3-methylcyclohexane is CCCC(CC)C1CCCC(C)C1.
What is the InChIKey of 1-hexan-3-yl-3-methylcyclohexane?
The InChIKey is GSDNEPMPGNAKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-4-7-12(5-2)13-9-6-8-11(3)10-13/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-hexan-3-yl-3-methylcyclohexane?
1-hexan-3-yl-3-methylcyclohexane has a molecular weight of 182.35 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-3-yl-3-methylcyclohexane is sourced from PubChem (CID 143887329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).