4,4-dimethylpent-1-ene;3,3,4-trimethylhexane

C16H34 — CID 153402313

IUPAC4,4-dimethylpent-1-ene;3,3,4-trimethylhexane
SMILESC=CCC(C)(C)C.CCC(C)C(C)(C)CC
InChIInChI=1S/C9H20.C7H14/c1-6-8(3)9(4,5)7-2;1-5-6-7(2,3)4/h8H,6-7H2,1-5H3;5H,1,6H2,2-4H3
InChIKeyDJIANXNUXZNAKL-UHFFFAOYSA-N
MW226.45 g/mol
LogP6.08
Rot. Bonds4

About 4,4-dimethylpent-1-ene;3,3,4-trimethylhexane

4,4-dimethylpent-1-ene;3,3,4-trimethylhexane (PubChem CID 153402313) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 4,4-dimethylpent-1-ene;3,3,4-trimethylhexane.

Molecular Properties

Compound Name4,4-dimethylpent-1-ene;3,3,4-trimethylhexane
PubChem CID153402313
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name4,4-dimethylpent-1-ene;3,3,4-trimethylhexane
SMILESC=CCC(C)(C)C.CCC(C)C(C)(C)CC
InChIInChI=1S/C9H20.C7H14/c1-6-8(3)9(4,5)7-2;1-5-6-7(2,3)4/h8H,6-7H2,1-5H3;5H,1,6H2,2-4H3
InChIKeyDJIANXNUXZNAKL-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,5,6,6-tetramethyloct-1-ene
CID 123650579
N-ethenyl-2,3,3-trimethylpentan-1-amine
CID 144685740
4,4-dimethylhept-6-en-3-ol
CID 74440422
4,4-diethyl-5-methylhex-1-ene
CID 23384984
3,3-dimethylhex-5-en-2-amine
CID 130019272
ethane;propane;2,3,5-trimethylhept-1-ene;3,3,4-trimethylhexane
CID 155580213
2-(2-methylbutan-2-yl)pent-4-enal
CID 87485643
3-ethyl-5,6,6-trimethyloct-2-ene
CID 123986789
(3-ethyl-4-methylhexan-3-yl)-prop-2-enylsilane
CID 175590279
(3R)-3-ethyl-2-methylhex-5-en-3-ol
CID 59911066
(5S)-3,5-diethyl-5-methyloct-7-en-2-amine
CID 88958075
4,4,5-trimethylheptan-2-amine
CID 79446390

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpent-1-ene;3,3,4-trimethylhexane?
The IUPAC name of 4,4-dimethylpent-1-ene;3,3,4-trimethylhexane (CID 153402313) is 4,4-dimethylpent-1-ene;3,3,4-trimethylhexane.
What is the SMILES notation for 4,4-dimethylpent-1-ene;3,3,4-trimethylhexane?
The canonical SMILES for 4,4-dimethylpent-1-ene;3,3,4-trimethylhexane is C=CCC(C)(C)C.CCC(C)C(C)(C)CC.
What is the InChIKey of 4,4-dimethylpent-1-ene;3,3,4-trimethylhexane?
The InChIKey is DJIANXNUXZNAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.C7H14/c1-6-8(3)9(4,5)7-2;1-5-6-7(2,3)4/h8H,6-7H2,1-5H3;5H,1,6H2,2-4H3.
What are the key properties of 4,4-dimethylpent-1-ene;3,3,4-trimethylhexane?
4,4-dimethylpent-1-ene;3,3,4-trimethylhexane has a molecular weight of 226.45 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpent-1-ene;3,3,4-trimethylhexane is sourced from PubChem (CID 153402313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).