2,4-dimethyl-3-propan-2-ylheptane

C12H26 — CID 53423714

IUPAC2,4-dimethyl-3-propan-2-ylheptane
SMILESCCCC(C)C(C(C)C)C(C)C
InChIInChI=1S/C12H26/c1-7-8-11(6)12(9(2)3)10(4)5/h9-12H,7-8H2,1-6H3
InChIKeyMWVRZCOXSIAHLW-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.35
Rot. Bonds5

About 2,4-dimethyl-3-propan-2-ylheptane

2,4-dimethyl-3-propan-2-ylheptane (PubChem CID 53423714) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is 2,4-dimethyl-3-propan-2-ylheptane.

Molecular Properties

Compound Name2,4-dimethyl-3-propan-2-ylheptane
PubChem CID53423714
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name2,4-dimethyl-3-propan-2-ylheptane
SMILESCCCC(C)C(C(C)C)C(C)C
InChIInChI=1S/C12H26/c1-7-8-11(6)12(9(2)3)10(4)5/h9-12H,7-8H2,1-6H3
InChIKeyMWVRZCOXSIAHLW-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-methyl-3-propan-2-ylheptan-2-ol
CID 107885963
3,5-dimethyl-4-propan-2-ylhexane-1-thiol
CID 123460007
6-butan-2-yl-2,3,4,5,7-pentamethyldecane
CID 123624469
(3R)-3,4-dimethylheptane
CID 59819300
2-methyl-1-sulfanylpentan-1-ol
CID 154061587
3-bromo-2,4-dimethylheptane
CID 79298351
4-ethyl-2-methyl-3-propan-2-ylheptane
CID 57491433
5-tert-butyl-4,6-dimethylnonane
CID 91526510
(2-methyl-3-propan-2-ylheptan-4-yl)phosphane
CID 170221608
2,3,4,5,6,7,8,9,10-nonamethyltridecane
CID 123419522
(2S,3R)-2-fluoro-3-methylhexane
CID 142291573
(2R)-3-methylhexan-2-ol
CID 88692749

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-propan-2-ylheptane?
The IUPAC name of 2,4-dimethyl-3-propan-2-ylheptane (CID 53423714) is 2,4-dimethyl-3-propan-2-ylheptane.
What is the SMILES notation for 2,4-dimethyl-3-propan-2-ylheptane?
The canonical SMILES for 2,4-dimethyl-3-propan-2-ylheptane is CCCC(C)C(C(C)C)C(C)C.
What is the InChIKey of 2,4-dimethyl-3-propan-2-ylheptane?
The InChIKey is MWVRZCOXSIAHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26/c1-7-8-11(6)12(9(2)3)10(4)5/h9-12H,7-8H2,1-6H3.
What are the key properties of 2,4-dimethyl-3-propan-2-ylheptane?
2,4-dimethyl-3-propan-2-ylheptane has a molecular weight of 170.34 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-propan-2-ylheptane is sourced from PubChem (CID 53423714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).