(6E,10E,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3S)-3-methylpent-4-enylidene]nonadeca-2,6,10,17-tetraene

C30H50 — CID 162872638

IUPAC(6E,10E,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3S)-3-methylpent-4-enylidene]nonadeca-2,6,10,17-tetraene
SMILESC=C[C@@H](C)C/C=C(\C/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@H](C)CCC=C(C)C
InChIInChI=1S/C30H50/c1-10-26(6)20-22-30(29(9)19-12-15-25(4)5)23-21-28(8)18-13-17-27(7)16-11-14-24(2)3/h10,14-15,17,21-22,26,29H,1,11-13,16,18-20,23H2,2-9H3/b27-17+,28-21+,30-22+/t26-,29-/m1/s1
InChIKeyJCWJDRJIYCBBNM-XOIDJWCVSA-N
MW410.73 g/mol
LogP10.32
Rot. Bonds15

About (6E,10E,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3S)-3-methylpent-4-enylidene]nonadeca-2,6,10,17-tetraene

(6E,10E,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3S)-3-methylpent-4-enylidene]nonadeca-2,6,10,17-tetraene (PubChem CID 162872638) has the molecular formula C30H50 and a molecular weight of 410.73 g/mol. Its IUPAC name is (6E,10E,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3S)-3-methylpent-4-enylidene]nonadeca-2,6,10,17-tetraene.

Molecular Properties

Compound Name(6E,10E,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3S)-3-methylpent-4-enylidene]nonadeca-2,6,10,17-tetraene
PubChem CID162872638
Molecular FormulaC30H50
Molecular Weight410.73 g/mol
Exact Mass410.39
IUPAC Name(6E,10E,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3S)-3-methylpent-4-enylidene]nonadeca-2,6,10,17-tetraene
SMILESC=C[C@@H](C)C/C=C(\C/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@H](C)CCC=C(C)C
InChIInChI=1S/C30H50/c1-10-26(6)20-22-30(29(9)19-12-15-25(4)5)23-21-28(8)18-13-17-27(7)16-11-14-24(2)3/h10,14-15,17,21-22,26,29H,1,11-13,16,18-20,23H2,2-9H3/b27-17+,28-21+,30-22+/t26-,29-/m1/s1
InChIKeyJCWJDRJIYCBBNM-XOIDJWCVSA-N
XLogP10.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.73
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (6E,10E,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3S)-3-methylpent-4-enylidene]nonadeca-2,6,10,17-tetraene with MolForge

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Related Compounds

1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
Limonene, (-)-
CID 439250
Beta-Bisabolene
CID 10104370
Dihydromyrcene
CID 17090
alpha-Bisabolene
CID 86597
alpha-Camphorene
CID 101750
Dihydromyrcene, (+)-
CID 10887985
(+)-germacrene A
CID 9548705
1-Methyl-4-(6-Methylhepta-1,5-Dien-2-Yl)Cyclohexene
CID 403919
(-)-Cembrene A
CID 5281384
2,6-Dimethyl-2-octene
CID 19974

Frequently Asked Questions

What is the IUPAC name of (6E,10E,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3S)-3-methylpent-4-enylidene]nonadeca-2,6,10,17-tetraene?
The IUPAC name of (6E,10E,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3S)-3-methylpent-4-enylidene]nonadeca-2,6,10,17-tetraene (CID 162872638) is (6E,10E,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3S)-3-methylpent-4-enylidene]nonadeca-2,6,10,17-tetraene.
What is the SMILES notation for (6E,10E,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3S)-3-methylpent-4-enylidene]nonadeca-2,6,10,17-tetraene?
The canonical SMILES for (6E,10E,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3S)-3-methylpent-4-enylidene]nonadeca-2,6,10,17-tetraene is C=C[C@@H](C)C/C=C(\C/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@H](C)CCC=C(C)C.
What is the InChIKey of (6E,10E,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3S)-3-methylpent-4-enylidene]nonadeca-2,6,10,17-tetraene?
The InChIKey is JCWJDRJIYCBBNM-XOIDJWCVSA-N. The full InChI is InChI=1S/C30H50/c1-10-26(6)20-22-30(29(9)19-12-15-25(4)5)23-21-28(8)18-13-17-27(7)16-11-14-24(2)3/h10,14-15,17,21-22,26,29H,1,11-13,16,18-20,23H2,2-9H3/b27-17+,28-21+,30-22+/t26-,29-/m1/s1.
What are the key properties of (6E,10E,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3S)-3-methylpent-4-enylidene]nonadeca-2,6,10,17-tetraene?
(6E,10E,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3S)-3-methylpent-4-enylidene]nonadeca-2,6,10,17-tetraene has a molecular weight of 410.73 g/mol, XLogP of 10.32, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3S)-3-methylpent-4-enylidene]nonadeca-2,6,10,17-tetraene is sourced from PubChem (CID 162872638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).