2,3,4,6-tetramethyl-4-propan-2-ylheptane

C14H30 — CID 57492993

IUPAC2,3,4,6-tetramethyl-4-propan-2-ylheptane
SMILESCC(C)CC(C)(C(C)C)C(C)C(C)C
InChIInChI=1S/C14H30/c1-10(2)9-14(8,12(5)6)13(7)11(3)4/h10-13H,9H2,1-8H3
InChIKeyASNSNPSFYFNHHH-UHFFFAOYSA-N
MW198.39 g/mol
LogP4.99
Rot. Bonds5

About 2,3,4,6-tetramethyl-4-propan-2-ylheptane

2,3,4,6-tetramethyl-4-propan-2-ylheptane (PubChem CID 57492993) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 2,3,4,6-tetramethyl-4-propan-2-ylheptane.

Molecular Properties

Compound Name2,3,4,6-tetramethyl-4-propan-2-ylheptane
PubChem CID57492993
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name2,3,4,6-tetramethyl-4-propan-2-ylheptane
SMILESCC(C)CC(C)(C(C)C)C(C)C(C)C
InChIInChI=1S/C14H30/c1-10(2)9-14(8,12(5)6)13(7)11(3)4/h10-13H,9H2,1-8H3
InChIKeyASNSNPSFYFNHHH-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.39
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3,4,6-tetramethyl-4-propan-2-ylheptane 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

2,2,3,4,4,6-hexamethylheptane
CID 57491289
2,3-dimethyl-2-propan-2-ylbutane-1-thiol
CID 123246833
bis(2,6-dimethyl-4,4-bis(2-methylpropyl)heptane);methane
CID 159457084
2,3,5,7-tetramethyl-3-propan-2-yloctane
CID 58719452
2,3,4,4-tetramethyl-2-(2-methylpropyl)pentanoyl chloride
CID 139794632
2,4,4,6-tetramethyl-3-propan-2-ylheptane
CID 57492978
2,3,3,4,5-pentamethylhexane
CID 21040423
bis(2,4-dimethylpentan-2-yl) carbonate
CID 87132187
3-ethyl-2,3,5-trimethylhexane
CID 53428900
4-tert-butyl-2,4,6-trimethylheptane
CID 57493093
CID 174450797
CID 174450797
3,3,5-trimethylhexylindigane
CID 174462219

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetramethyl-4-propan-2-ylheptane?
The IUPAC name of 2,3,4,6-tetramethyl-4-propan-2-ylheptane (CID 57492993) is 2,3,4,6-tetramethyl-4-propan-2-ylheptane.
What is the SMILES notation for 2,3,4,6-tetramethyl-4-propan-2-ylheptane?
The canonical SMILES for 2,3,4,6-tetramethyl-4-propan-2-ylheptane is CC(C)CC(C)(C(C)C)C(C)C(C)C.
What is the InChIKey of 2,3,4,6-tetramethyl-4-propan-2-ylheptane?
The InChIKey is ASNSNPSFYFNHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-10(2)9-14(8,12(5)6)13(7)11(3)4/h10-13H,9H2,1-8H3.
What are the key properties of 2,3,4,6-tetramethyl-4-propan-2-ylheptane?
2,3,4,6-tetramethyl-4-propan-2-ylheptane has a molecular weight of 198.39 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetramethyl-4-propan-2-ylheptane is sourced from PubChem (CID 57492993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).