(9E)-2,17-dimethyl-12-(5-methylhex-1-en-2-yl)-14-methylideneoctadeca-1,9-diene

C28H50 — CID 140597740

IUPAC(9E)-2,17-dimethyl-12-(5-methylhex-1-en-2-yl)-14-methylideneoctadeca-1,9-diene
SMILESC=C(C)CCCCCC/C=C/CC(CC(=C)CCC(C)C)C(=C)CCC(C)C
InChIInChI=1S/C28H50/c1-23(2)16-14-12-10-9-11-13-15-17-28(27(8)21-19-25(5)6)22-26(7)20-18-24(3)4/h13,15,24-25,28H,1,7-12,14,16-22H2,2-6H3/b15-13+
InChIKeyKQOYOSUSLXHMTJ-FYWRMAATSA-N
MW386.71 g/mol
LogP9.84
Rot. Bonds18

About (9E)-2,17-dimethyl-12-(5-methylhex-1-en-2-yl)-14-methylideneoctadeca-1,9-diene

(9E)-2,17-dimethyl-12-(5-methylhex-1-en-2-yl)-14-methylideneoctadeca-1,9-diene (PubChem CID 140597740) has the molecular formula C28H50 and a molecular weight of 386.71 g/mol. Its IUPAC name is (9E)-2,17-dimethyl-12-(5-methylhex-1-en-2-yl)-14-methylideneoctadeca-1,9-diene.

Molecular Properties

Compound Name(9E)-2,17-dimethyl-12-(5-methylhex-1-en-2-yl)-14-methylideneoctadeca-1,9-diene
PubChem CID140597740
Molecular FormulaC28H50
Molecular Weight386.71 g/mol
Exact Mass386.39
IUPAC Name(9E)-2,17-dimethyl-12-(5-methylhex-1-en-2-yl)-14-methylideneoctadeca-1,9-diene
SMILESC=C(C)CCCCCC/C=C/CC(CC(=C)CCC(C)C)C(=C)CCC(C)C
InChIInChI=1S/C28H50/c1-23(2)16-14-12-10-9-11-13-15-17-28(27(8)21-19-25(5)6)22-26(7)20-18-24(3)4/h13,15,24-25,28H,1,7-12,14,16-22H2,2-6H3/b15-13+
InChIKeyKQOYOSUSLXHMTJ-FYWRMAATSA-N
XLogP9.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.71
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-9-methyl-N-(3-methylbutyl)deca-3,9-dien-1-amine
CID 167244985
(6E)-12-methylidene-4-prop-1-en-2-ylhenicosa-1,6-dien-2-ol
CID 143578892
(7E)-2-methylnona-1,7-diene
CID 23197153
3-methylbutyl (E)-11-acetyl-13-oxotetradec-8-enoate
CID 89116697
2,13-dimethyltetradec-4-ene
CID 139930710
(E)-4-acetylpentadec-6-ene-2,14-dione
CID 89116696
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952
(E)-2,15-dimethylhexadec-8-ene
CID 176630932
2,8-dimethyl-5-methylidenenonane
CID 545812
2,14-dimethylpentadeca-1,14-diene
CID 123962057
2-methyl-5-methylideneundecane
CID 54320712
(Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene
CID 161032897

Frequently Asked Questions

What is the IUPAC name of (9E)-2,17-dimethyl-12-(5-methylhex-1-en-2-yl)-14-methylideneoctadeca-1,9-diene?
The IUPAC name of (9E)-2,17-dimethyl-12-(5-methylhex-1-en-2-yl)-14-methylideneoctadeca-1,9-diene (CID 140597740) is (9E)-2,17-dimethyl-12-(5-methylhex-1-en-2-yl)-14-methylideneoctadeca-1,9-diene.
What is the SMILES notation for (9E)-2,17-dimethyl-12-(5-methylhex-1-en-2-yl)-14-methylideneoctadeca-1,9-diene?
The canonical SMILES for (9E)-2,17-dimethyl-12-(5-methylhex-1-en-2-yl)-14-methylideneoctadeca-1,9-diene is C=C(C)CCCCCC/C=C/CC(CC(=C)CCC(C)C)C(=C)CCC(C)C.
What is the InChIKey of (9E)-2,17-dimethyl-12-(5-methylhex-1-en-2-yl)-14-methylideneoctadeca-1,9-diene?
The InChIKey is KQOYOSUSLXHMTJ-FYWRMAATSA-N. The full InChI is InChI=1S/C28H50/c1-23(2)16-14-12-10-9-11-13-15-17-28(27(8)21-19-25(5)6)22-26(7)20-18-24(3)4/h13,15,24-25,28H,1,7-12,14,16-22H2,2-6H3/b15-13+.
What are the key properties of (9E)-2,17-dimethyl-12-(5-methylhex-1-en-2-yl)-14-methylideneoctadeca-1,9-diene?
(9E)-2,17-dimethyl-12-(5-methylhex-1-en-2-yl)-14-methylideneoctadeca-1,9-diene has a molecular weight of 386.71 g/mol, XLogP of 9.84, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-2,17-dimethyl-12-(5-methylhex-1-en-2-yl)-14-methylideneoctadeca-1,9-diene is sourced from PubChem (CID 140597740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).