(2E)-3,7-dimethyl-1-[(Z)-5-methylhept-4-en-6-yn-3-yl]oxyocta-2,6-diene

C18H28O — CID 24772884

IUPAC(2E)-3,7-dimethyl-1-[(Z)-5-methylhept-4-en-6-yn-3-yl]oxyocta-2,6-diene
SMILESC#C/C(C)=C\C(CC)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C18H28O/c1-7-16(5)14-18(8-2)19-13-12-17(6)11-9-10-15(3)4/h1,10,12,14,18H,8-9,11,13H2,2-6H3/b16-14-,17-12+
InChIKeyQOMGNKDZUJAZTI-UEHVZXPFSA-N
MW260.42 g/mol
LogP5.05
Rot. Bonds8

About (2E)-3,7-dimethyl-1-[(Z)-5-methylhept-4-en-6-yn-3-yl]oxyocta-2,6-diene

(2E)-3,7-dimethyl-1-[(Z)-5-methylhept-4-en-6-yn-3-yl]oxyocta-2,6-diene (PubChem CID 24772884) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is (2E)-3,7-dimethyl-1-[(Z)-5-methylhept-4-en-6-yn-3-yl]oxyocta-2,6-diene.

Molecular Properties

Compound Name(2E)-3,7-dimethyl-1-[(Z)-5-methylhept-4-en-6-yn-3-yl]oxyocta-2,6-diene
PubChem CID24772884
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name(2E)-3,7-dimethyl-1-[(Z)-5-methylhept-4-en-6-yn-3-yl]oxyocta-2,6-diene
SMILESC#C/C(C)=C\C(CC)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C18H28O/c1-7-16(5)14-18(8-2)19-13-12-17(6)11-9-10-15(3)4/h1,10,12,14,18H,8-9,11,13H2,2-6H3/b16-14-,17-12+
InChIKeyQOMGNKDZUJAZTI-UEHVZXPFSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E)-3,7-dimethyl-1-[(Z)-5-methylhept-4-en-6-yn-3-yl]oxyocta-2,6-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene
CID 12153891
(2E,5E)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene
CID 10954135
Geraniol isopropylether
CID 21350906
Farnesyl ethyl ether
CID 56624926
(2Z,5Z)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene
CID 59047496
Nerol isopropylether
CID 101572065
2-methyl-5-[(E)-2-methyl-4-prop-2-enoxybut-2-enoxy]hept-1-en-6-yne
CID 11368660
(3Z,7E)-3,7-dimethyl-1-oxacyclotrideca-3,7-dien-11-yne
CID 13821299
(3E,7E)-3,7-dimethyl-1-oxacyclotrideca-3,7-dien-11-yne
CID 13821300
(3Z,7E,16Z,20E)-3,7,16,20-tetramethyl-1,14-dioxacyclohexacosa-3,7,16,20-tetraen-11,24-diyne
CID 13821329
(5R)-2-methyl-5-(3-methylbut-2-enoxy)nona-1,8-dien-3-yne
CID 71614405
(2E)-3,7-dimethyl-1-[(5R)-2-methylnona-1,8-dien-3-yn-5-yl]oxyocta-2,6-diene
CID 71614406

Frequently Asked Questions

What is the IUPAC name of (2E)-3,7-dimethyl-1-[(Z)-5-methylhept-4-en-6-yn-3-yl]oxyocta-2,6-diene?
The IUPAC name of (2E)-3,7-dimethyl-1-[(Z)-5-methylhept-4-en-6-yn-3-yl]oxyocta-2,6-diene (CID 24772884) is (2E)-3,7-dimethyl-1-[(Z)-5-methylhept-4-en-6-yn-3-yl]oxyocta-2,6-diene.
What is the SMILES notation for (2E)-3,7-dimethyl-1-[(Z)-5-methylhept-4-en-6-yn-3-yl]oxyocta-2,6-diene?
The canonical SMILES for (2E)-3,7-dimethyl-1-[(Z)-5-methylhept-4-en-6-yn-3-yl]oxyocta-2,6-diene is C#C/C(C)=C\C(CC)OC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E)-3,7-dimethyl-1-[(Z)-5-methylhept-4-en-6-yn-3-yl]oxyocta-2,6-diene?
The InChIKey is QOMGNKDZUJAZTI-UEHVZXPFSA-N. The full InChI is InChI=1S/C18H28O/c1-7-16(5)14-18(8-2)19-13-12-17(6)11-9-10-15(3)4/h1,10,12,14,18H,8-9,11,13H2,2-6H3/b16-14-,17-12+.
What are the key properties of (2E)-3,7-dimethyl-1-[(Z)-5-methylhept-4-en-6-yn-3-yl]oxyocta-2,6-diene?
(2E)-3,7-dimethyl-1-[(Z)-5-methylhept-4-en-6-yn-3-yl]oxyocta-2,6-diene has a molecular weight of 260.42 g/mol, XLogP of 5.05, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3,7-dimethyl-1-[(Z)-5-methylhept-4-en-6-yn-3-yl]oxyocta-2,6-diene is sourced from PubChem (CID 24772884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).