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

C30H52 — CID 162926941

IUPAC(6E,10Z,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3R)-3-methylpent-4-enylidene]nonadeca-2,6,10-triene
SMILESC=C[C@H](C)C/C=C(\C/C=C(/C)CC/C=C(\C)CCC=C(C)C)[C@H](C)CCCC(C)C
InChIInChI=1S/C30H52/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/h10,14,17,21-22,25-26,29H,1,11-13,15-16,18-20,23H2,2-9H3/b27-17+,28-21-,30-22+/t26-,29+/m0/s1
InChIKeyBNYPZWFLESHHNE-FQXFZFBGSA-N
MW412.75 g/mol
LogP10.40
Rot. Bonds16

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

(6E,10Z,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3R)-3-methylpent-4-enylidene]nonadeca-2,6,10-triene (PubChem CID 162926941) has the molecular formula C30H52 and a molecular weight of 412.75 g/mol. Its IUPAC name is (6E,10Z,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3R)-3-methylpent-4-enylidene]nonadeca-2,6,10-triene.

Molecular Properties

Compound Name(6E,10Z,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3R)-3-methylpent-4-enylidene]nonadeca-2,6,10-triene
PubChem CID162926941
Molecular FormulaC30H52
Molecular Weight412.75 g/mol
Exact Mass412.41
IUPAC Name(6E,10Z,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3R)-3-methylpent-4-enylidene]nonadeca-2,6,10-triene
SMILESC=C[C@H](C)C/C=C(\C/C=C(/C)CC/C=C(\C)CCC=C(C)C)[C@H](C)CCCC(C)C
InChIInChI=1S/C30H52/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/h10,14,17,21-22,25-26,29H,1,11-13,15-16,18-20,23H2,2-9H3/b27-17+,28-21-,30-22+/t26-,29+/m0/s1
InChIKeyBNYPZWFLESHHNE-FQXFZFBGSA-N
XLogP10.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.75
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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

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Related Compounds

Beta-Bisabolene
CID 10104370
Elemene
CID 12309449
Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-
CID 89316
alpha-Camphorene
CID 101750
Sesquiphellandrene
CID 519764
1-Methyl-4-(6-Methylhepta-1,5-Dien-2-Yl)Cyclohexene
CID 403919
(-)-Cembrene A
CID 5281384
beta-Terpinene
CID 66841
beta-Sesquiphellandrene
CID 12315492
Neophytadiene
CID 10446
trans-Isolimonene
CID 22831540

Frequently Asked Questions

What is the IUPAC name of (6E,10Z,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3R)-3-methylpent-4-enylidene]nonadeca-2,6,10-triene?
The IUPAC name of (6E,10Z,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3R)-3-methylpent-4-enylidene]nonadeca-2,6,10-triene (CID 162926941) is (6E,10Z,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3R)-3-methylpent-4-enylidene]nonadeca-2,6,10-triene.
What is the SMILES notation for (6E,10Z,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3R)-3-methylpent-4-enylidene]nonadeca-2,6,10-triene?
The canonical SMILES for (6E,10Z,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3R)-3-methylpent-4-enylidene]nonadeca-2,6,10-triene is C=C[C@H](C)C/C=C(\C/C=C(/C)CC/C=C(\C)CCC=C(C)C)[C@H](C)CCCC(C)C.
What is the InChIKey of (6E,10Z,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3R)-3-methylpent-4-enylidene]nonadeca-2,6,10-triene?
The InChIKey is BNYPZWFLESHHNE-FQXFZFBGSA-N. The full InChI is InChI=1S/C30H52/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/h10,14,17,21-22,25-26,29H,1,11-13,15-16,18-20,23H2,2-9H3/b27-17+,28-21-,30-22+/t26-,29+/m0/s1.
What are the key properties of (6E,10Z,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3R)-3-methylpent-4-enylidene]nonadeca-2,6,10-triene?
(6E,10Z,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3R)-3-methylpent-4-enylidene]nonadeca-2,6,10-triene has a molecular weight of 412.75 g/mol, XLogP of 10.40, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10Z,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3R)-3-methylpent-4-enylidene]nonadeca-2,6,10-triene is sourced from PubChem (CID 162926941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).