(3Z,7Z)-2,3-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane

C16H24 — CID 145064081

IUPAC(3Z,7Z)-2,3-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane
SMILESC=C/C=C\C(=C)C(=C)/C=C(\C)C(=C)C.CC
InChIInChI=1S/C14H18.C2H6/c1-7-8-9-12(4)14(6)10-13(5)11(2)3;1-2/h7-10H,1-2,4,6H2,3,5H3;1-2H3/b9-8-,13-10-;
InChIKeyOSMBBDQFTUCGRS-PYUFWKQTSA-N
MW216.37 g/mol
LogP5.39
Rot. Bonds5

About (3Z,7Z)-2,3-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane

(3Z,7Z)-2,3-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane (PubChem CID 145064081) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is (3Z,7Z)-2,3-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane.

Molecular Properties

Compound Name(3Z,7Z)-2,3-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane
PubChem CID145064081
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name(3Z,7Z)-2,3-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane
SMILESC=C/C=C\C(=C)C(=C)/C=C(\C)C(=C)C.CC
InChIInChI=1S/C14H18.C2H6/c1-7-8-9-12(4)14(6)10-13(5)11(2)3;1-2/h7-10H,1-2,4,6H2,3,5H3;1-2H3/b9-8-,13-10-;
InChIKeyOSMBBDQFTUCGRS-PYUFWKQTSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z,7Z)-2-methoxy-3-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 142839425
6-methyl-5-methylidenehepta-1,3,6-triene
CID 54100301
ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene
CID 145268478
(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;methane
CID 156726265
(3Z,7Z,11Z)-2-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
CID 143476273
benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane
CID 164901853
2-methylprop-2-enoyl 2-methylidenehexa-3,5-dienoate
CID 174764747
(3Z,7Z)-8,9-dimethyl-2,5,6-trimethylidenedeca-3,7,9-trienenitrile
CID 144813060
(2E,5Z)-3,4-dimethylidene-2-(2-methylprop-2-enylidene)octa-5,7-dienoic acid
CID 144579489
(2Z,7Z)-4,6-dimethylidenedeca-2,7,9-trien-5-one;ethane;prop-1-ene
CID 144870179
ethane;(3Z,7E)-7-ethenyl-2,3,9,10-tetramethyl-5-methylideneundeca-1,3,7,9-tetraen-6-one
CID 143236415
(3Z,7Z)-2-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 143982603

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-2,3-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane?
The IUPAC name of (3Z,7Z)-2,3-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane (CID 145064081) is (3Z,7Z)-2,3-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane.
What is the SMILES notation for (3Z,7Z)-2,3-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane?
The canonical SMILES for (3Z,7Z)-2,3-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane is C=C/C=C\C(=C)C(=C)/C=C(\C)C(=C)C.CC.
What is the InChIKey of (3Z,7Z)-2,3-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane?
The InChIKey is OSMBBDQFTUCGRS-PYUFWKQTSA-N. The full InChI is InChI=1S/C14H18.C2H6/c1-7-8-9-12(4)14(6)10-13(5)11(2)3;1-2/h7-10H,1-2,4,6H2,3,5H3;1-2H3/b9-8-,13-10-;.
What are the key properties of (3Z,7Z)-2,3-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane?
(3Z,7Z)-2,3-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane has a molecular weight of 216.37 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-2,3-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane is sourced from PubChem (CID 145064081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).