(Z)-6,7-dimethyl-3-propan-2-yloct-2-ene

C13H26 — CID 58663285

IUPAC(Z)-6,7-dimethyl-3-propan-2-yloct-2-ene
SMILESC/C=C(/CCC(C)C(C)C)C(C)C
InChIInChI=1S/C13H26/c1-7-13(11(4)5)9-8-12(6)10(2)3/h7,10-12H,8-9H2,1-6H3/b13-7-
InChIKeyVBYRCCOUWPBJEA-QPEQYQDCSA-N
MW182.35 g/mol
LogP4.66
Rot. Bonds5

About (Z)-6,7-dimethyl-3-propan-2-yloct-2-ene

(Z)-6,7-dimethyl-3-propan-2-yloct-2-ene (PubChem CID 58663285) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is (Z)-6,7-dimethyl-3-propan-2-yloct-2-ene.

Molecular Properties

Compound Name(Z)-6,7-dimethyl-3-propan-2-yloct-2-ene
PubChem CID58663285
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name(Z)-6,7-dimethyl-3-propan-2-yloct-2-ene
SMILESC/C=C(/CCC(C)C(C)C)C(C)C
InChIInChI=1S/C13H26/c1-7-13(11(4)5)9-8-12(6)10(2)3/h7,10-12H,8-9H2,1-6H3/b13-7-
InChIKeyVBYRCCOUWPBJEA-QPEQYQDCSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.66
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

N,N,6,7-tetramethyloct-2-en-3-amine
CID 123844828
(E)-3-propan-2-ylhex-2-ene
CID 142020071
6,7-dimethyloct-2-ene
CID 54205493
(6R)-2,6,7-trimethyl-3-methylideneoct-1-ene
CID 162769064
2,8,9-trimethyldecan-5-one
CID 162772851
ethane;(5E)-5-propan-2-ylhepta-1,5-diene
CID 142226106
2-propan-2-ylbut-2-en-1-ol
CID 76567926
(3S,7R)-2,3,7,8-tetramethylnonane
CID 153439349
5-methyl-2-propan-2-ylhex-1-en-1-ol
CID 164522577
(Z)-6-nitroso-3-propan-2-ylhex-2-ene
CID 163554902
5,6-dimethyl-2-methylideneheptanoic acid
CID 87749992
2,7-dimethyl-4-propan-2-yloct-3-ene
CID 123373088

Frequently Asked Questions

What is the IUPAC name of (Z)-6,7-dimethyl-3-propan-2-yloct-2-ene?
The IUPAC name of (Z)-6,7-dimethyl-3-propan-2-yloct-2-ene (CID 58663285) is (Z)-6,7-dimethyl-3-propan-2-yloct-2-ene.
What is the SMILES notation for (Z)-6,7-dimethyl-3-propan-2-yloct-2-ene?
The canonical SMILES for (Z)-6,7-dimethyl-3-propan-2-yloct-2-ene is C/C=C(/CCC(C)C(C)C)C(C)C.
What is the InChIKey of (Z)-6,7-dimethyl-3-propan-2-yloct-2-ene?
The InChIKey is VBYRCCOUWPBJEA-QPEQYQDCSA-N. The full InChI is InChI=1S/C13H26/c1-7-13(11(4)5)9-8-12(6)10(2)3/h7,10-12H,8-9H2,1-6H3/b13-7-.
What are the key properties of (Z)-6,7-dimethyl-3-propan-2-yloct-2-ene?
(Z)-6,7-dimethyl-3-propan-2-yloct-2-ene has a molecular weight of 182.35 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6,7-dimethyl-3-propan-2-yloct-2-ene is sourced from PubChem (CID 58663285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).