(5E)-2,3,3,4,5,6,8-heptamethyldeca-1,5-diene

C17H32 — CID 20695172

IUPAC(5E)-2,3,3,4,5,6,8-heptamethyldeca-1,5-diene
SMILESC=C(C)C(C)(C)C(C)/C(C)=C(\C)CC(C)CC
InChIInChI=1S/C17H32/c1-10-13(4)11-14(5)15(6)16(7)17(8,9)12(2)3/h13,16H,2,10-11H2,1,3-9H3/b15-14+
InChIKeyOXRZPNDBYKSKAJ-CCEZHUSRSA-N
MW236.44 g/mol
LogP6.00
Rot. Bonds6

About (5E)-2,3,3,4,5,6,8-heptamethyldeca-1,5-diene

(5E)-2,3,3,4,5,6,8-heptamethyldeca-1,5-diene (PubChem CID 20695172) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is (5E)-2,3,3,4,5,6,8-heptamethyldeca-1,5-diene.

Molecular Properties

Compound Name(5E)-2,3,3,4,5,6,8-heptamethyldeca-1,5-diene
PubChem CID20695172
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name(5E)-2,3,3,4,5,6,8-heptamethyldeca-1,5-diene
SMILESC=C(C)C(C)(C)C(C)/C(C)=C(\C)CC(C)CC
InChIInChI=1S/C17H32/c1-10-13(4)11-14(5)15(6)16(7)17(8,9)12(2)3/h13,16H,2,10-11H2,1,3-9H3/b15-14+
InChIKeyOXRZPNDBYKSKAJ-CCEZHUSRSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 56.00
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

(2,5-dimethyl-3-methylideneheptan-2-yl)phosphane
CID 170214631
2-chloro-4-methylhex-1-ene
CID 15153636
2,6-dimethyl-4-methylideneoctane
CID 12567282
3,6-dimethyl-4-methylideneoctane
CID 91141716
(2-ethyl-2,5-dimethyl-3-methylideneheptyl)-methyl-methylideneazanium
CID 123169756
2-fluoro-5-methyl-3-methylideneheptane
CID 130181565
N-(2,3-dimethylbut-3-en-2-yl)-6,7,9-trimethyldec-9-en-3-amine
CID 146312766
N,2,5-trimethylhept-2-en-3-amine
CID 177136361
(5S)-5-methyl-3-methylidenehept-1-yne
CID 15744328
3-methylhexane;2-methylprop-1-ene
CID 165405684
3-methyl-N-(2-methylprop-2-enyl)pentanamide
CID 114875356
2,2-dimethylpropane;2-methylbut-1-ene
CID 143831735

Frequently Asked Questions

What is the IUPAC name of (5E)-2,3,3,4,5,6,8-heptamethyldeca-1,5-diene?
The IUPAC name of (5E)-2,3,3,4,5,6,8-heptamethyldeca-1,5-diene (CID 20695172) is (5E)-2,3,3,4,5,6,8-heptamethyldeca-1,5-diene.
What is the SMILES notation for (5E)-2,3,3,4,5,6,8-heptamethyldeca-1,5-diene?
The canonical SMILES for (5E)-2,3,3,4,5,6,8-heptamethyldeca-1,5-diene is C=C(C)C(C)(C)C(C)/C(C)=C(\C)CC(C)CC.
What is the InChIKey of (5E)-2,3,3,4,5,6,8-heptamethyldeca-1,5-diene?
The InChIKey is OXRZPNDBYKSKAJ-CCEZHUSRSA-N. The full InChI is InChI=1S/C17H32/c1-10-13(4)11-14(5)15(6)16(7)17(8,9)12(2)3/h13,16H,2,10-11H2,1,3-9H3/b15-14+.
What are the key properties of (5E)-2,3,3,4,5,6,8-heptamethyldeca-1,5-diene?
(5E)-2,3,3,4,5,6,8-heptamethyldeca-1,5-diene has a molecular weight of 236.44 g/mol, XLogP of 6.00, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2,3,3,4,5,6,8-heptamethyldeca-1,5-diene is sourced from PubChem (CID 20695172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).