(5Z,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yne

C18H28 — CID 11242015

IUPAC(5Z,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yne
SMILESC#CCC/C=C(/C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C18H28/c1-6-7-8-12-17(4)14-10-15-18(5)13-9-11-16(2)3/h1,11-12,15H,7-10,13-14H2,2-5H3/b17-12-,18-15+
InChIKeyCHOZHHKCNAKMFO-GQQFYLPPSA-N
MW244.42 g/mol
LogP5.82
Rot. Bonds8

About (5Z,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yne

(5Z,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yne (PubChem CID 11242015) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is (5Z,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yne.

Molecular Properties

Compound Name(5Z,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yne
PubChem CID11242015
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name(5Z,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yne
SMILESC#CCC/C=C(/C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C18H28/c1-6-7-8-12-17(4)14-10-15-18(5)13-9-11-16(2)3/h1,11-12,15H,7-10,13-14H2,2-5H3/b17-12-,18-15+
InChIKeyCHOZHHKCNAKMFO-GQQFYLPPSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.82
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3,7-Dimethyl-3,6-octadien-1-yne
CID 53646631
(3E)-4-Ethyl-3-nonen-5-yne
CID 5368780
4,8,12-Trimethyl-1,3E,7E,11-tridecatetraene
CID 20200974
5,9,14,18,22-Pentamethyl-tricosa-5,9,13,17,21-pentaen-1-yne
CID 14544609
5,9,14,18-Tetramethyl-docosa-5,9,13,17-tetraene-1,21-diyne
CID 14544610
6-Methyl-5-hepten-1-yne
CID 519983
(5E)-6,10-Dimethyl-5,9-undecadien-1-yne
CID 5365876
7-Methyl-3-methyleneoct-6-en-1-yne
CID 11018920
5-Decen-1-yne, (5E)-
CID 6437054
(3Z)-3,7-Dimethyl-3,6-octadien-1-yne
CID 14496262
(5Z)-5-prop-1-ynylpentadeca-1,5,7,8,14-pentaene
CID 10263693
(Z)-6-methyloct-5-en-1-yne
CID 10953485

Frequently Asked Questions

What is the IUPAC name of (5Z,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yne?
The IUPAC name of (5Z,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yne (CID 11242015) is (5Z,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yne.
What is the SMILES notation for (5Z,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yne?
The canonical SMILES for (5Z,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yne is C#CCC/C=C(/C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (5Z,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yne?
The InChIKey is CHOZHHKCNAKMFO-GQQFYLPPSA-N. The full InChI is InChI=1S/C18H28/c1-6-7-8-12-17(4)14-10-15-18(5)13-9-11-16(2)3/h1,11-12,15H,7-10,13-14H2,2-5H3/b17-12-,18-15+.
What are the key properties of (5Z,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yne?
(5Z,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yne has a molecular weight of 244.42 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yne is sourced from PubChem (CID 11242015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).