(3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane

C21H38 — CID 145336589

IUPAC(3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane
SMILESC=C(C)/C=C\C(=C)CC(=C)/C=C\C(=C)C.CC.CC.CC
InChIInChI=1S/C15H20.3C2H6/c1-12(2)7-9-14(5)11-15(6)10-8-13(3)4;3*1-2/h7-10H,1,3,5-6,11H2,2,4H3;3*1-2H3/b9-7-,10-8-;;;
InChIKeySWDYYCLYHFMTSM-UVCQFRKSSA-N
MW290.53 g/mol
LogP7.83
Rot. Bonds6

About (3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane

(3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane (PubChem CID 145336589) has the molecular formula C21H38 and a molecular weight of 290.53 g/mol. Its IUPAC name is (3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane.

Molecular Properties

Compound Name(3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane
PubChem CID145336589
Molecular FormulaC21H38
Molecular Weight290.53 g/mol
Exact Mass290.30
IUPAC Name(3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane
SMILESC=C(C)/C=C\C(=C)CC(=C)/C=C\C(=C)C.CC.CC.CC
InChIInChI=1S/C15H20.3C2H6/c1-12(2)7-9-14(5)11-15(6)10-8-13(3)4;3*1-2/h7-10H,1,3,5-6,11H2,2,4H3;3*1-2H3/b9-7-,10-8-;;;
InChIKeySWDYYCLYHFMTSM-UVCQFRKSSA-N
XLogP7.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.53
LogP ≤ 57.83
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,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane
CID 144843023
(3Z,8Z)-10-methyl-5,7-dimethylideneundeca-1,3,8,10-tetraen-2-amine;molecular hydrogen
CID 143076297
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene
CID 143257359
(3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine
CID 144585216
(3Z)-N,N,5-trimethyl-2-methylidenehexa-3,5-dien-1-amine
CID 142124132
(3Z)-5-methylhexa-1,3,5-trien-2-amine
CID 87058792
(3Z)-5-methylhexa-1,3,5-trien-2-ol;uranium
CID 143030811
ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145059823
(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane
CID 144723415
(5Z)-7-methyl-4-methylideneocta-5,7-dienoic acid
CID 144579461
ethane;(3Z)-2-methoxy-5-methylhexa-1,3,5-triene
CID 144626557

Frequently Asked Questions

What is the IUPAC name of (3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane?
The IUPAC name of (3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane (CID 145336589) is (3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane.
What is the SMILES notation for (3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane?
The canonical SMILES for (3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane is C=C(C)/C=C\C(=C)CC(=C)/C=C\C(=C)C.CC.CC.CC.
What is the InChIKey of (3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane?
The InChIKey is SWDYYCLYHFMTSM-UVCQFRKSSA-N. The full InChI is InChI=1S/C15H20.3C2H6/c1-12(2)7-9-14(5)11-15(6)10-8-13(3)4;3*1-2/h7-10H,1,3,5-6,11H2,2,4H3;3*1-2H3/b9-7-,10-8-;;;.
What are the key properties of (3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane?
(3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane has a molecular weight of 290.53 g/mol, XLogP of 7.83, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane is sourced from PubChem (CID 145336589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).