3,5,5-trimethyl-3-propan-2-ylhex-1-ene

C12H24 — CID 123318417

IUPAC3,5,5-trimethyl-3-propan-2-ylhex-1-ene
SMILESC=CC(C)(CC(C)(C)C)C(C)C
InChIInChI=1S/C12H24/c1-8-12(7,10(2)3)9-11(4,5)6/h8,10H,1,9H2,2-7H3
InChIKeyKLMXOUSAIYBKBG-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.27
Rot. Bonds3

About 3,5,5-trimethyl-3-propan-2-ylhex-1-ene

3,5,5-trimethyl-3-propan-2-ylhex-1-ene (PubChem CID 123318417) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 3,5,5-trimethyl-3-propan-2-ylhex-1-ene.

Molecular Properties

Compound Name3,5,5-trimethyl-3-propan-2-ylhex-1-ene
PubChem CID123318417
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name3,5,5-trimethyl-3-propan-2-ylhex-1-ene
SMILESC=CC(C)(CC(C)(C)C)C(C)C
InChIInChI=1S/C12H24/c1-8-12(7,10(2)3)9-11(4,5)6/h8,10H,1,9H2,2-7H3
InChIKeyKLMXOUSAIYBKBG-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.27
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

ethane;3-methyl-3-propan-2-ylhept-1-ene
CID 162730739
(2R)-3-ethyl-3-methylpent-4-en-2-amine
CID 143354853
methane;prop-1-ene;3,3,5,5-tetramethylhex-1-ene
CID 142214554
3,3,4,4,5-pentamethylhex-1-ene
CID 23384855
2,5,5-trimethyl-3-propan-2-ylhexan-3-amine
CID 167343931
2,2,4,4,7,7,9,9-octamethyldec-5-ene
CID 90796396
3-ethyl-4-methyl-3-propan-2-ylpent-1-ene
CID 141443775
methyl 2-(2,2-dimethylpropyl)-2-propan-2-ylpent-3-enoate
CID 139381646
2,2,4,5-tetramethyl-4-(trifluoromethyl)hexane
CID 162570154
4-ethenyl-4-propan-2-ylhepta-1,6-diene
CID 23385053
4-(2,2-dimethylpropylsulfanyl)pent-1-ene
CID 138478178
2-methylbut-3-en-2-yl 2-methylpropyl carbonate
CID 11217669

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-3-propan-2-ylhex-1-ene?
The IUPAC name of 3,5,5-trimethyl-3-propan-2-ylhex-1-ene (CID 123318417) is 3,5,5-trimethyl-3-propan-2-ylhex-1-ene.
What is the SMILES notation for 3,5,5-trimethyl-3-propan-2-ylhex-1-ene?
The canonical SMILES for 3,5,5-trimethyl-3-propan-2-ylhex-1-ene is C=CC(C)(CC(C)(C)C)C(C)C.
What is the InChIKey of 3,5,5-trimethyl-3-propan-2-ylhex-1-ene?
The InChIKey is KLMXOUSAIYBKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-8-12(7,10(2)3)9-11(4,5)6/h8,10H,1,9H2,2-7H3.
What are the key properties of 3,5,5-trimethyl-3-propan-2-ylhex-1-ene?
3,5,5-trimethyl-3-propan-2-ylhex-1-ene has a molecular weight of 168.32 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-3-propan-2-ylhex-1-ene is sourced from PubChem (CID 123318417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).