(E,7S,10S)-2,6,10,14-tetramethyl-7-[(3R)-3-methylpent-4-enyl]pentadec-5-ene

C25H48 — CID 163005396

IUPAC(E,7S,10S)-2,6,10,14-tetramethyl-7-[(3R)-3-methylpent-4-enyl]pentadec-5-ene
SMILESC=C[C@H](C)CC[C@H](CC[C@@H](C)CCCC(C)C)/C(C)=C/CCC(C)C
InChIInChI=1S/C25H48/c1-9-22(6)16-18-25(24(8)15-11-13-21(4)5)19-17-23(7)14-10-12-20(2)3/h9,15,20-23,25H,1,10-14,16-19H2,2-8H3/b24-15+/t22-,23-,25+/m0/s1
InChIKeyYJQZREBAXWNCAX-QZDZOKHOSA-N
MW348.66 g/mol
LogP8.83
Rot. Bonds15

About (E,7S,10S)-2,6,10,14-tetramethyl-7-[(3R)-3-methylpent-4-enyl]pentadec-5-ene

(E,7S,10S)-2,6,10,14-tetramethyl-7-[(3R)-3-methylpent-4-enyl]pentadec-5-ene (PubChem CID 163005396) has the molecular formula C25H48 and a molecular weight of 348.66 g/mol. Its IUPAC name is (E,7S,10S)-2,6,10,14-tetramethyl-7-[(3R)-3-methylpent-4-enyl]pentadec-5-ene.

Molecular Properties

Compound Name(E,7S,10S)-2,6,10,14-tetramethyl-7-[(3R)-3-methylpent-4-enyl]pentadec-5-ene
PubChem CID163005396
Molecular FormulaC25H48
Molecular Weight348.66 g/mol
Exact Mass348.38
IUPAC Name(E,7S,10S)-2,6,10,14-tetramethyl-7-[(3R)-3-methylpent-4-enyl]pentadec-5-ene
SMILESC=C[C@H](C)CC[C@H](CC[C@@H](C)CCCC(C)C)/C(C)=C/CCC(C)C
InChIInChI=1S/C25H48/c1-9-22(6)16-18-25(24(8)15-11-13-21(4)5)19-17-23(7)14-10-12-20(2)3/h9,15,20-23,25H,1,10-14,16-19H2,2-8H3/b24-15+/t22-,23-,25+/m0/s1
InChIKeyYJQZREBAXWNCAX-QZDZOKHOSA-N
XLogP8.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.66
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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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 (E,7S,10S)-2,6,10,14-tetramethyl-7-[(3R)-3-methylpent-4-enyl]pentadec-5-ene?
The IUPAC name of (E,7S,10S)-2,6,10,14-tetramethyl-7-[(3R)-3-methylpent-4-enyl]pentadec-5-ene (CID 163005396) is (E,7S,10S)-2,6,10,14-tetramethyl-7-[(3R)-3-methylpent-4-enyl]pentadec-5-ene.
What is the SMILES notation for (E,7S,10S)-2,6,10,14-tetramethyl-7-[(3R)-3-methylpent-4-enyl]pentadec-5-ene?
The canonical SMILES for (E,7S,10S)-2,6,10,14-tetramethyl-7-[(3R)-3-methylpent-4-enyl]pentadec-5-ene is C=C[C@H](C)CC[C@H](CC[C@@H](C)CCCC(C)C)/C(C)=C/CCC(C)C.
What is the InChIKey of (E,7S,10S)-2,6,10,14-tetramethyl-7-[(3R)-3-methylpent-4-enyl]pentadec-5-ene?
The InChIKey is YJQZREBAXWNCAX-QZDZOKHOSA-N. The full InChI is InChI=1S/C25H48/c1-9-22(6)16-18-25(24(8)15-11-13-21(4)5)19-17-23(7)14-10-12-20(2)3/h9,15,20-23,25H,1,10-14,16-19H2,2-8H3/b24-15+/t22-,23-,25+/m0/s1.
What are the key properties of (E,7S,10S)-2,6,10,14-tetramethyl-7-[(3R)-3-methylpent-4-enyl]pentadec-5-ene?
(E,7S,10S)-2,6,10,14-tetramethyl-7-[(3R)-3-methylpent-4-enyl]pentadec-5-ene has a molecular weight of 348.66 g/mol, XLogP of 8.83, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7S,10S)-2,6,10,14-tetramethyl-7-[(3R)-3-methylpent-4-enyl]pentadec-5-ene is sourced from PubChem (CID 163005396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).