(3E,5S,8E)-2,5,9-trimethyl-6,10-dimethylidene-4-propan-2-yldodeca-1,3,8,11-tetraene

C20H30 — CID 144789623

IUPAC(3E,5S,8E)-2,5,9-trimethyl-6,10-dimethylidene-4-propan-2-yldodeca-1,3,8,11-tetraene
SMILESC=CC(=C)/C(C)=C/CC(=C)[C@H](C)/C(=C/C(=C)C)C(C)C
InChIInChI=1S/C20H30/c1-10-16(6)17(7)11-12-18(8)19(9)20(15(4)5)13-14(2)3/h10-11,13,15,19H,1-2,6,8,12H2,3-5,7,9H3/b17-11+,20-13+/t19-/m0/s1
InChIKeySYLMDPQAMKUZCH-JXDXXXKOSA-N
MW270.46 g/mol
LogP6.42
Rot. Bonds8

About (3E,5S,8E)-2,5,9-trimethyl-6,10-dimethylidene-4-propan-2-yldodeca-1,3,8,11-tetraene

(3E,5S,8E)-2,5,9-trimethyl-6,10-dimethylidene-4-propan-2-yldodeca-1,3,8,11-tetraene (PubChem CID 144789623) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is (3E,5S,8E)-2,5,9-trimethyl-6,10-dimethylidene-4-propan-2-yldodeca-1,3,8,11-tetraene.

Molecular Properties

Compound Name(3E,5S,8E)-2,5,9-trimethyl-6,10-dimethylidene-4-propan-2-yldodeca-1,3,8,11-tetraene
PubChem CID144789623
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name(3E,5S,8E)-2,5,9-trimethyl-6,10-dimethylidene-4-propan-2-yldodeca-1,3,8,11-tetraene
SMILESC=CC(=C)/C(C)=C/CC(=C)[C@H](C)/C(=C/C(=C)C)C(C)C
InChIInChI=1S/C20H30/c1-10-16(6)17(7)11-12-18(8)19(9)20(15(4)5)13-14(2)3/h10-11,13,15,19H,1-2,6,8,12H2,3-5,7,9H3/b17-11+,20-13+/t19-/m0/s1
InChIKeySYLMDPQAMKUZCH-JXDXXXKOSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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2-methylbuta-1,3-diene;2-methylpropane
CID 19064095
(Z)-4,7-dimethyl-6-methylideneoct-3-ene
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(3Z,5E)-2,4,8-trimethyl-5-propan-2-ylnona-1,3,5,7-tetraene
CID 143375678
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
(3E)-N,2-dimethyl-5-methylidenehepta-1,3,6-trien-4-amine
CID 143240550
4-methyl-3,5,6-trimethylideneocta-1,7-diene
CID 59145882
(5E)-5-methyl-3,4-dimethylidenehepta-1,5-diene
CID 144801201
(3E,5Z)-N,3-dimethyl-N,5-di(propan-2-yl)octa-1,3,5-trien-2-amine
CID 167069160
2,6,6,7-tetramethylocta-1,4-diene
CID 123444802
(3Z,5Z)-2,5-dimethyl-4-(2-methylpropyl)hepta-1,3,5-triene
CID 164881280

Frequently Asked Questions

What is the IUPAC name of (3E,5S,8E)-2,5,9-trimethyl-6,10-dimethylidene-4-propan-2-yldodeca-1,3,8,11-tetraene?
The IUPAC name of (3E,5S,8E)-2,5,9-trimethyl-6,10-dimethylidene-4-propan-2-yldodeca-1,3,8,11-tetraene (CID 144789623) is (3E,5S,8E)-2,5,9-trimethyl-6,10-dimethylidene-4-propan-2-yldodeca-1,3,8,11-tetraene.
What is the SMILES notation for (3E,5S,8E)-2,5,9-trimethyl-6,10-dimethylidene-4-propan-2-yldodeca-1,3,8,11-tetraene?
The canonical SMILES for (3E,5S,8E)-2,5,9-trimethyl-6,10-dimethylidene-4-propan-2-yldodeca-1,3,8,11-tetraene is C=CC(=C)/C(C)=C/CC(=C)[C@H](C)/C(=C/C(=C)C)C(C)C.
What is the InChIKey of (3E,5S,8E)-2,5,9-trimethyl-6,10-dimethylidene-4-propan-2-yldodeca-1,3,8,11-tetraene?
The InChIKey is SYLMDPQAMKUZCH-JXDXXXKOSA-N. The full InChI is InChI=1S/C20H30/c1-10-16(6)17(7)11-12-18(8)19(9)20(15(4)5)13-14(2)3/h10-11,13,15,19H,1-2,6,8,12H2,3-5,7,9H3/b17-11+,20-13+/t19-/m0/s1.
What are the key properties of (3E,5S,8E)-2,5,9-trimethyl-6,10-dimethylidene-4-propan-2-yldodeca-1,3,8,11-tetraene?
(3E,5S,8E)-2,5,9-trimethyl-6,10-dimethylidene-4-propan-2-yldodeca-1,3,8,11-tetraene has a molecular weight of 270.46 g/mol, XLogP of 6.42, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5S,8E)-2,5,9-trimethyl-6,10-dimethylidene-4-propan-2-yldodeca-1,3,8,11-tetraene is sourced from PubChem (CID 144789623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).