3,3,4,4,5,5-hexamethylheptane

C13H28 — CID 22899431

IUPAC3,3,4,4,5,5-hexamethylheptane
SMILESCCC(C)(C)C(C)(C)C(C)(C)CC
InChIInChI=1S/C13H28/c1-9-11(3,4)13(7,8)12(5,6)10-2/h9-10H2,1-8H3
InChIKeyHQIUPRXOLWQHSP-UHFFFAOYSA-N
MW184.37 g/mol
LogP4.89
Rot. Bonds4

About 3,3,4,4,5,5-hexamethylheptane

3,3,4,4,5,5-hexamethylheptane (PubChem CID 22899431) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexamethylheptane.

Molecular Properties

Compound Name3,3,4,4,5,5-hexamethylheptane
PubChem CID22899431
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name3,3,4,4,5,5-hexamethylheptane
SMILESCCC(C)(C)C(C)(C)C(C)(C)CC
InChIInChI=1S/C13H28/c1-9-11(3,4)13(7,8)12(5,6)10-2/h9-10H2,1-8H3
InChIKeyHQIUPRXOLWQHSP-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(12S)-12-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,14,14-pentacosamethylhexadecane
CID 123648575
3,3,4,4,5,5,6,6,7,8,8,9,9,10,10-pentadecamethyldodecane
CID 123187307
2-aminobutan-2-ol;propane
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4,4,5,5-tetrafluoro-3,3,6,6-tetramethyloctane
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2,2,3,3,4,4,6,6,7,7-decamethylnonane
CID 123949494
2,3,3,4,5,5,6,6,7,7-decamethylnonane
CID 123742035
(3S)-4,4-diiodo-2,2,3,5,5,6,6-heptamethyloctane
CID 118200534
2,2,3,3,4,4-hexamethylhexane;2,2,3,4,4-pentamethyl-3-propan-2-ylhexane
CID 158030577
2,2,3,3,4,4-hexamethyl-1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane
CID 90873357
2-methylbutan-2-amine;hydrate
CID 173000674
2-methylbutan-2-amine;propane
CID 91035545
ethane;2-methylpropane;2,2,3,3-tetramethylpentane
CID 145053606

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexamethylheptane?
The IUPAC name of 3,3,4,4,5,5-hexamethylheptane (CID 22899431) is 3,3,4,4,5,5-hexamethylheptane.
What is the SMILES notation for 3,3,4,4,5,5-hexamethylheptane?
The canonical SMILES for 3,3,4,4,5,5-hexamethylheptane is CCC(C)(C)C(C)(C)C(C)(C)CC.
What is the InChIKey of 3,3,4,4,5,5-hexamethylheptane?
The InChIKey is HQIUPRXOLWQHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-9-11(3,4)13(7,8)12(5,6)10-2/h9-10H2,1-8H3.
What are the key properties of 3,3,4,4,5,5-hexamethylheptane?
3,3,4,4,5,5-hexamethylheptane has a molecular weight of 184.37 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexamethylheptane is sourced from PubChem (CID 22899431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).