1-methyl-3-(3-methylheptan-4-yl)cyclohexane

C15H30 — CID 147901007

IUPAC1-methyl-3-(3-methylheptan-4-yl)cyclohexane
SMILESCCCC(C(C)CC)C1CCCC(C)C1
InChIInChI=1S/C15H30/c1-5-8-15(13(4)6-2)14-10-7-9-12(3)11-14/h12-15H,5-11H2,1-4H3
InChIKeyACMMFYKXXALAHG-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.28
Rot. Bonds5

About 1-methyl-3-(3-methylheptan-4-yl)cyclohexane

1-methyl-3-(3-methylheptan-4-yl)cyclohexane (PubChem CID 147901007) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 1-methyl-3-(3-methylheptan-4-yl)cyclohexane.

Molecular Properties

Compound Name1-methyl-3-(3-methylheptan-4-yl)cyclohexane
PubChem CID147901007
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name1-methyl-3-(3-methylheptan-4-yl)cyclohexane
SMILESCCCC(C(C)CC)C1CCCC(C)C1
InChIInChI=1S/C15H30/c1-5-8-15(13(4)6-2)14-10-7-9-12(3)11-14/h12-15H,5-11H2,1-4H3
InChIKeyACMMFYKXXALAHG-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-(3-methylheptan-4-yl)cyclopentane
CID 143344172
1-hexan-3-yl-3-methylcyclohexane
CID 143887329
3-methyl-1-(3-methylcyclohexyl)hexan-1-amine
CID 63414986
4-amino-3-(3-methylcyclohexyl)pentan-1-ol
CID 66090063
1-(1-bromopropyl)-3-methylcyclohexane
CID 79308612
1-methyl-3-(4-methylheptan-3-yl)cyclobutane
CID 123570171
(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132
4-methyl-6-(3-methylcyclononyl)nonan-3-ol
CID 123945349
2-(3-methylcyclohexyl)pentan-3-ol
CID 79436238
1-(3-methylcyclohexyl)butane-1,2-diol
CID 103454489
1-(3-methylcyclohexyl)pentan-1-amine
CID 62603972
(7-ethyl-5-methyldodecan-4-yl)cyclobutane
CID 123270914

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methylheptan-4-yl)cyclohexane?
The IUPAC name of 1-methyl-3-(3-methylheptan-4-yl)cyclohexane (CID 147901007) is 1-methyl-3-(3-methylheptan-4-yl)cyclohexane.
What is the SMILES notation for 1-methyl-3-(3-methylheptan-4-yl)cyclohexane?
The canonical SMILES for 1-methyl-3-(3-methylheptan-4-yl)cyclohexane is CCCC(C(C)CC)C1CCCC(C)C1.
What is the InChIKey of 1-methyl-3-(3-methylheptan-4-yl)cyclohexane?
The InChIKey is ACMMFYKXXALAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-5-8-15(13(4)6-2)14-10-7-9-12(3)11-14/h12-15H,5-11H2,1-4H3.
What are the key properties of 1-methyl-3-(3-methylheptan-4-yl)cyclohexane?
1-methyl-3-(3-methylheptan-4-yl)cyclohexane has a molecular weight of 210.40 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylheptan-4-yl)cyclohexane is sourced from PubChem (CID 147901007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).