2,6,6-trimethyl-4-prop-1-en-2-ylhept-1-ene

C13H24 — CID 90710749

IUPAC2,6,6-trimethyl-4-prop-1-en-2-ylhept-1-ene
SMILESC=C(C)CC(CC(C)(C)C)C(=C)C
InChIInChI=1S/C13H24/c1-10(2)8-12(11(3)4)9-13(5,6)7/h12H,1,3,8-9H2,2,4-7H3
InChIKeyPJZRLTLECLBSNU-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.58
Rot. Bonds4

About 2,6,6-trimethyl-4-prop-1-en-2-ylhept-1-ene

2,6,6-trimethyl-4-prop-1-en-2-ylhept-1-ene (PubChem CID 90710749) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 2,6,6-trimethyl-4-prop-1-en-2-ylhept-1-ene.

Molecular Properties

Compound Name2,6,6-trimethyl-4-prop-1-en-2-ylhept-1-ene
PubChem CID90710749
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name2,6,6-trimethyl-4-prop-1-en-2-ylhept-1-ene
SMILESC=C(C)CC(CC(C)(C)C)C(=C)C
InChIInChI=1S/C13H24/c1-10(2)8-12(11(3)4)9-13(5,6)7/h12H,1,3,8-9H2,2,4-7H3
InChIKeyPJZRLTLECLBSNU-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.58
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

O-(4,4-dimethyl-2-prop-1-en-2-ylpentyl)hydroxylamine
CID 174180237
4,5-difluoro-2,5-dimethylhept-1-ene
CID 129028446
2,4,6,8-tetramethyl-6-(2-methylpropyl)non-1-ene
CID 21361186
2,7,9,9-tetramethyldec-1-en-5-one
CID 115802845
2-chloro-2,5-dimethylhex-5-en-3-ol
CID 18920966
7-amino-2,9,9-trimethyldec-1-en-5-one
CID 114478091
4,4-dimethyl-N-prop-1-en-2-ylpentan-2-amine
CID 129049369
amino 4,4-dimethyl-2-prop-1-en-2-ylpentanoate
CID 174179934
(3S)-3,5-dimethylhex-5-en-2-one
CID 45085211
2,4-dimethylpent-1-ene;ethane
CID 143336990
(3R)-3-acetyl-5,5-dimethylhexanamide
CID 142089595
2,5,7,7-tetramethyl-N-propyloct-1-en-3-amine
CID 105005536

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-4-prop-1-en-2-ylhept-1-ene?
The IUPAC name of 2,6,6-trimethyl-4-prop-1-en-2-ylhept-1-ene (CID 90710749) is 2,6,6-trimethyl-4-prop-1-en-2-ylhept-1-ene.
What is the SMILES notation for 2,6,6-trimethyl-4-prop-1-en-2-ylhept-1-ene?
The canonical SMILES for 2,6,6-trimethyl-4-prop-1-en-2-ylhept-1-ene is C=C(C)CC(CC(C)(C)C)C(=C)C.
What is the InChIKey of 2,6,6-trimethyl-4-prop-1-en-2-ylhept-1-ene?
The InChIKey is PJZRLTLECLBSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-10(2)8-12(11(3)4)9-13(5,6)7/h12H,1,3,8-9H2,2,4-7H3.
What are the key properties of 2,6,6-trimethyl-4-prop-1-en-2-ylhept-1-ene?
2,6,6-trimethyl-4-prop-1-en-2-ylhept-1-ene has a molecular weight of 180.33 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-4-prop-1-en-2-ylhept-1-ene is sourced from PubChem (CID 90710749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).