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

C14H30 — CID 57492978

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

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

2,4,4,6-tetramethyl-3-propan-2-ylheptane (PubChem CID 57492978) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 2,4,4,6-tetramethyl-3-propan-2-ylheptane.

Molecular Properties

Compound Name2,4,4,6-tetramethyl-3-propan-2-ylheptane
PubChem CID57492978
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name2,4,4,6-tetramethyl-3-propan-2-ylheptane
SMILESCC(C)CC(C)(C)C(C(C)C)C(C)C
InChIInChI=1S/C14H30/c1-10(2)9-14(7,8)13(11(3)4)12(5)6/h10-13H,9H2,1-8H3
InChIKeyPMQIGWOUKQIOJH-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

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Related Compounds

5,5,7-trimethyl-4-propan-2-yloctane-3-thiol
CID 142722721
2,2,3,4,4,6-hexamethylheptane
CID 57491289
O-(3,3,5-trimethylhexan-2-yl)hydroxylamine
CID 59956878
2,4,4,5,6-pentamethyloctane
CID 57491109
2-methylpropan-1-ol;2,2,4-trimethylpentane-1,1-diol
CID 172688938
3-ethyl-2,3,5-trimethylhexane
CID 53428900
4-tert-butyl-2,4,6-trimethylheptane
CID 57493093
CID 174450797
CID 174450797
2,3,4,6-tetramethyl-4-propan-2-ylheptane
CID 57492993
2,4,5,5,7-pentamethyloctan-1-ol
CID 57192301
2,4,4,6-tetramethyl-5-propyloctane
CID 123721040
1,3-dimethoxypropane;2,3,3,5-tetramethylhexane
CID 175249202

Frequently Asked Questions

What is the IUPAC name of 2,4,4,6-tetramethyl-3-propan-2-ylheptane?
The IUPAC name of 2,4,4,6-tetramethyl-3-propan-2-ylheptane (CID 57492978) is 2,4,4,6-tetramethyl-3-propan-2-ylheptane.
What is the SMILES notation for 2,4,4,6-tetramethyl-3-propan-2-ylheptane?
The canonical SMILES for 2,4,4,6-tetramethyl-3-propan-2-ylheptane is CC(C)CC(C)(C)C(C(C)C)C(C)C.
What is the InChIKey of 2,4,4,6-tetramethyl-3-propan-2-ylheptane?
The InChIKey is PMQIGWOUKQIOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-10(2)9-14(7,8)13(11(3)4)12(5)6/h10-13H,9H2,1-8H3.
What are the key properties of 2,4,4,6-tetramethyl-3-propan-2-ylheptane?
2,4,4,6-tetramethyl-3-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 2,4,4,6-tetramethyl-3-propan-2-ylheptane is sourced from PubChem (CID 57492978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).