1,2,4-trimethyl-5-(6-methyloctan-2-yl)cycloheptane

C19H38 — CID 143345986

IUPAC1,2,4-trimethyl-5-(6-methyloctan-2-yl)cycloheptane
SMILESCCC(C)CCCC(C)C1CCC(C)C(C)CC1C
InChIInChI=1S/C19H38/c1-7-14(2)9-8-10-16(4)19-12-11-15(3)17(5)13-18(19)6/h14-19H,7-13H2,1-6H3
InChIKeyNIIZEUIUZQYJCU-UHFFFAOYSA-N
MW266.51 g/mol
LogP6.55
Rot. Bonds6

About 1,2,4-trimethyl-5-(6-methyloctan-2-yl)cycloheptane

1,2,4-trimethyl-5-(6-methyloctan-2-yl)cycloheptane (PubChem CID 143345986) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is 1,2,4-trimethyl-5-(6-methyloctan-2-yl)cycloheptane.

Molecular Properties

Compound Name1,2,4-trimethyl-5-(6-methyloctan-2-yl)cycloheptane
PubChem CID143345986
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Name1,2,4-trimethyl-5-(6-methyloctan-2-yl)cycloheptane
SMILESCCC(C)CCCC(C)C1CCC(C)C(C)CC1C
InChIInChI=1S/C19H38/c1-7-14(2)9-8-10-16(4)19-12-11-15(3)17(5)13-18(19)6/h14-19H,7-13H2,1-6H3
InChIKeyNIIZEUIUZQYJCU-UHFFFAOYSA-N
XLogP6.55
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 ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,4-trimethyl-5-(6-methyloctan-2-yl)cycloheptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-hexan-2-yl-2,4,5-trimethylcycloheptane
CID 143344432
1,2,3-trimethyl-4-(5-methylheptan-2-yl)cyclohexane
CID 123804533
butane;1,2-dimethylcyclobutane;ethane;3-methylheptane;propane
CID 142019945
1,3-dimethyl-6-(6-methyloctan-2-yl)-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 143344836
(3R,7R)-3,7-dimethylnonane
CID 42626759
bis(3-methylhexane);1,2,3-trimethylcyclobutane
CID 162022066
1-methyl-2-(4-methylhexan-2-yl)cyclopentane
CID 123800434
1-(3,7-dimethylnonyl)-2-methylcyclopentane
CID 123956803
ethene;1-methyl-2-(3-methylpentyl)cyclopropane
CID 143221228
1-(4-methoxybutan-2-yl)-2-methylcyclobutane
CID 123971585
1-heptan-2-yl-2-methylcyclopropane
CID 91084036
1-butan-2-yl-2,3-dimethylcyclopentane;ethane;ethene
CID 144517503

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-5-(6-methyloctan-2-yl)cycloheptane?
The IUPAC name of 1,2,4-trimethyl-5-(6-methyloctan-2-yl)cycloheptane (CID 143345986) is 1,2,4-trimethyl-5-(6-methyloctan-2-yl)cycloheptane.
What is the SMILES notation for 1,2,4-trimethyl-5-(6-methyloctan-2-yl)cycloheptane?
The canonical SMILES for 1,2,4-trimethyl-5-(6-methyloctan-2-yl)cycloheptane is CCC(C)CCCC(C)C1CCC(C)C(C)CC1C.
What is the InChIKey of 1,2,4-trimethyl-5-(6-methyloctan-2-yl)cycloheptane?
The InChIKey is NIIZEUIUZQYJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38/c1-7-14(2)9-8-10-16(4)19-12-11-15(3)17(5)13-18(19)6/h14-19H,7-13H2,1-6H3.
What are the key properties of 1,2,4-trimethyl-5-(6-methyloctan-2-yl)cycloheptane?
1,2,4-trimethyl-5-(6-methyloctan-2-yl)cycloheptane has a molecular weight of 266.51 g/mol, XLogP of 6.55, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-5-(6-methyloctan-2-yl)cycloheptane is sourced from PubChem (CID 143345986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).