(4S)-2,4-dimethyl-4-propan-2-ylheptane

C12H26 — CID 58432708

IUPAC(4S)-2,4-dimethyl-4-propan-2-ylheptane
SMILESCCC[C@@](C)(CC(C)C)C(C)C
InChIInChI=1S/C12H26/c1-7-8-12(6,11(4)5)9-10(2)3/h10-11H,7-9H2,1-6H3/t12-/m0/s1
InChIKeyMTPOSRQPOBWFQC-LBPRGKRZSA-N
MW170.34 g/mol
LogP4.49
Rot. Bonds5

About (4S)-2,4-dimethyl-4-propan-2-ylheptane

(4S)-2,4-dimethyl-4-propan-2-ylheptane (PubChem CID 58432708) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is (4S)-2,4-dimethyl-4-propan-2-ylheptane.

Molecular Properties

Compound Name(4S)-2,4-dimethyl-4-propan-2-ylheptane
PubChem CID58432708
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name(4S)-2,4-dimethyl-4-propan-2-ylheptane
SMILESCCC[C@@](C)(CC(C)C)C(C)C
InChIInChI=1S/C12H26/c1-7-8-12(6,11(4)5)9-10(2)3/h10-11H,7-9H2,1-6H3/t12-/m0/s1
InChIKeyMTPOSRQPOBWFQC-LBPRGKRZSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,5-dimethyl-3-propylhexan-2-ol
CID 20501854
3-ethyl-2,3,5-trimethylhexane
CID 53428900
(3S)-3-ethyl-2,3-dimethylhexane
CID 158040075
2,4,6-trimethyl-4-propan-2-ylnonane
CID 90931226
3-methyl-3-propylhexan-2-ol
CID 20501676
N,3-dimethyl-3-propan-2-ylhexan-1-amine
CID 130453352
2,4-dimethylheptan-4-olate
CID 58624964
3-methyl-3-propylhexane-2-thiol
CID 123142515
3-ethyl-2,3,6,6,7,7,8,8,10-nonamethylundecane
CID 123324624
2,4-dimethyl-4-propyloctane
CID 57491235
6-methyl-6-propan-2-ylundecane
CID 87930599
(2-methyl-2-propan-2-ylpentyl) formate
CID 87469777

Frequently Asked Questions

What is the IUPAC name of (4S)-2,4-dimethyl-4-propan-2-ylheptane?
The IUPAC name of (4S)-2,4-dimethyl-4-propan-2-ylheptane (CID 58432708) is (4S)-2,4-dimethyl-4-propan-2-ylheptane.
What is the SMILES notation for (4S)-2,4-dimethyl-4-propan-2-ylheptane?
The canonical SMILES for (4S)-2,4-dimethyl-4-propan-2-ylheptane is CCC[C@@](C)(CC(C)C)C(C)C.
What is the InChIKey of (4S)-2,4-dimethyl-4-propan-2-ylheptane?
The InChIKey is MTPOSRQPOBWFQC-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H26/c1-7-8-12(6,11(4)5)9-10(2)3/h10-11H,7-9H2,1-6H3/t12-/m0/s1.
What are the key properties of (4S)-2,4-dimethyl-4-propan-2-ylheptane?
(4S)-2,4-dimethyl-4-propan-2-ylheptane has a molecular weight of 170.34 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,4-dimethyl-4-propan-2-ylheptane is sourced from PubChem (CID 58432708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).