1-hexan-3-yl-4-methylcyclohexane;propane

C16H34 — CID 143181984

IUPAC1-hexan-3-yl-4-methylcyclohexane;propane
SMILESCCC.CCCC(CC)C1CCC(C)CC1
InChIInChI=1S/C13H26.C3H8/c1-4-6-12(5-2)13-9-7-11(3)8-10-13;1-3-2/h11-13H,4-10H2,1-3H3;3H2,1-2H3
InChIKeyDWYMPUFBJNLIBS-UHFFFAOYSA-N
MW226.45 g/mol
LogP6.06
Rot. Bonds4

About 1-hexan-3-yl-4-methylcyclohexane;propane

1-hexan-3-yl-4-methylcyclohexane;propane (PubChem CID 143181984) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 1-hexan-3-yl-4-methylcyclohexane;propane.

Molecular Properties

Compound Name1-hexan-3-yl-4-methylcyclohexane;propane
PubChem CID143181984
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name1-hexan-3-yl-4-methylcyclohexane;propane
SMILESCCC.CCCC(CC)C1CCC(C)CC1
InChIInChI=1S/C13H26.C3H8/c1-4-6-12(5-2)13-9-7-11(3)8-10-13;1-3-2/h11-13H,4-10H2,1-3H3;3H2,1-2H3
InChIKeyDWYMPUFBJNLIBS-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-hexan-3-yloxane
CID 118974929
1-hexan-3-yl-3-methylcyclohexane
CID 143887329
1-methyl-4-(6-methyloct-7-en-3-yl)cyclohexane
CID 123270008
pentan-3-ylcyclopropane
CID 19042038
formic acid;1-methyl-4-pentan-3-ylcyclohexane
CID 144502603
3-cyclopropylpentan-1-amine
CID 64919361
1-methyl-5-pentan-3-ylcyclooctane
CID 161233743
(5R)-5-(4-methylcyclohexyl)octanal
CID 118900354
1-methyl-4-[1-(4-methylcyclohexyl)propyl]cyclohexane
CID 142348869
cyclopropane;ethane;1-hexan-3-yl-2-methylcyclobutane;methylcyclopropane;propane
CID 143682571
1-butan-2-yl-4-methylcyclohexane
CID 20676481
3-[(3R)-hexan-3-yl]bicyclo[3.3.1]nonane
CID 123239520

Frequently Asked Questions

What is the IUPAC name of 1-hexan-3-yl-4-methylcyclohexane;propane?
The IUPAC name of 1-hexan-3-yl-4-methylcyclohexane;propane (CID 143181984) is 1-hexan-3-yl-4-methylcyclohexane;propane.
What is the SMILES notation for 1-hexan-3-yl-4-methylcyclohexane;propane?
The canonical SMILES for 1-hexan-3-yl-4-methylcyclohexane;propane is CCC.CCCC(CC)C1CCC(C)CC1.
What is the InChIKey of 1-hexan-3-yl-4-methylcyclohexane;propane?
The InChIKey is DWYMPUFBJNLIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26.C3H8/c1-4-6-12(5-2)13-9-7-11(3)8-10-13;1-3-2/h11-13H,4-10H2,1-3H3;3H2,1-2H3.
What are the key properties of 1-hexan-3-yl-4-methylcyclohexane;propane?
1-hexan-3-yl-4-methylcyclohexane;propane has a molecular weight of 226.45 g/mol, XLogP of 6.06, 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-4-methylcyclohexane;propane is sourced from PubChem (CID 143181984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).