(5E,7R,9E)-2,6,10-trimethyl-7-[(3R)-3-methylpent-4-enyl]pentadeca-5,9-diene

C24H44 — CID 162891971

IUPAC(5E,7R,9E)-2,6,10-trimethyl-7-[(3R)-3-methylpent-4-enyl]pentadeca-5,9-diene
SMILESC=C[C@H](C)CC[C@H](C/C=C(\C)CCCCC)/C(C)=C/CCC(C)C
InChIInChI=1S/C24H44/c1-8-10-11-14-22(6)17-19-24(18-16-21(5)9-2)23(7)15-12-13-20(3)4/h9,15,17,20-21,24H,2,8,10-14,16,18-19H2,1,3-7H3/b22-17+,23-15+/t21-,24+/m0/s1
InChIKeyVCXIEXNHNOVFNT-PNTPTAIXSA-N
MW332.62 g/mol
LogP8.50
Rot. Bonds14

About (5E,7R,9E)-2,6,10-trimethyl-7-[(3R)-3-methylpent-4-enyl]pentadeca-5,9-diene

(5E,7R,9E)-2,6,10-trimethyl-7-[(3R)-3-methylpent-4-enyl]pentadeca-5,9-diene (PubChem CID 162891971) has the molecular formula C24H44 and a molecular weight of 332.62 g/mol. Its IUPAC name is (5E,7R,9E)-2,6,10-trimethyl-7-[(3R)-3-methylpent-4-enyl]pentadeca-5,9-diene.

Molecular Properties

Compound Name(5E,7R,9E)-2,6,10-trimethyl-7-[(3R)-3-methylpent-4-enyl]pentadeca-5,9-diene
PubChem CID162891971
Molecular FormulaC24H44
Molecular Weight332.62 g/mol
Exact Mass332.34
IUPAC Name(5E,7R,9E)-2,6,10-trimethyl-7-[(3R)-3-methylpent-4-enyl]pentadeca-5,9-diene
SMILESC=C[C@H](C)CC[C@H](C/C=C(\C)CCCCC)/C(C)=C/CCC(C)C
InChIInChI=1S/C24H44/c1-8-10-11-14-22(6)17-19-24(18-16-21(5)9-2)23(7)15-12-13-20(3)4/h9,15,17,20-21,24H,2,8,10-14,16,18-19H2,1,3-7H3/b22-17+,23-15+/t21-,24+/m0/s1
InChIKeyVCXIEXNHNOVFNT-PNTPTAIXSA-N
XLogP8.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.62
LogP ≤ 58.50
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'}

Analyze (5E,7R,9E)-2,6,10-trimethyl-7-[(3R)-3-methylpent-4-enyl]pentadeca-5,9-diene with MolForge

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Related Compounds

1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
Limonene, (-)-
CID 439250
Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
alpha-Bisabolene
CID 86597
alpha-Camphorene
CID 101750
p-Menth-1-ene
CID 21671
(+)-germacrene A
CID 9548705
(-)-Cembrene A
CID 5281384
2,6-Dimethyl-2-octene
CID 19974
alpha-Bisabolene, (E)-
CID 5315468
Neophytadiene
CID 10446

Frequently Asked Questions

What is the IUPAC name of (5E,7R,9E)-2,6,10-trimethyl-7-[(3R)-3-methylpent-4-enyl]pentadeca-5,9-diene?
The IUPAC name of (5E,7R,9E)-2,6,10-trimethyl-7-[(3R)-3-methylpent-4-enyl]pentadeca-5,9-diene (CID 162891971) is (5E,7R,9E)-2,6,10-trimethyl-7-[(3R)-3-methylpent-4-enyl]pentadeca-5,9-diene.
What is the SMILES notation for (5E,7R,9E)-2,6,10-trimethyl-7-[(3R)-3-methylpent-4-enyl]pentadeca-5,9-diene?
The canonical SMILES for (5E,7R,9E)-2,6,10-trimethyl-7-[(3R)-3-methylpent-4-enyl]pentadeca-5,9-diene is C=C[C@H](C)CC[C@H](C/C=C(\C)CCCCC)/C(C)=C/CCC(C)C.
What is the InChIKey of (5E,7R,9E)-2,6,10-trimethyl-7-[(3R)-3-methylpent-4-enyl]pentadeca-5,9-diene?
The InChIKey is VCXIEXNHNOVFNT-PNTPTAIXSA-N. The full InChI is InChI=1S/C24H44/c1-8-10-11-14-22(6)17-19-24(18-16-21(5)9-2)23(7)15-12-13-20(3)4/h9,15,17,20-21,24H,2,8,10-14,16,18-19H2,1,3-7H3/b22-17+,23-15+/t21-,24+/m0/s1.
What are the key properties of (5E,7R,9E)-2,6,10-trimethyl-7-[(3R)-3-methylpent-4-enyl]pentadeca-5,9-diene?
(5E,7R,9E)-2,6,10-trimethyl-7-[(3R)-3-methylpent-4-enyl]pentadeca-5,9-diene has a molecular weight of 332.62 g/mol, XLogP of 8.50, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7R,9E)-2,6,10-trimethyl-7-[(3R)-3-methylpent-4-enyl]pentadeca-5,9-diene is sourced from PubChem (CID 162891971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).