ethane;(5Z)-5-methylocta-1,5-diene

C11H22 — CID 155705867

IUPACethane;(5Z)-5-methylocta-1,5-diene
SMILESC=CCC/C(C)=C\CC.CC
InChIInChI=1S/C9H16.C2H6/c1-4-6-8-9(3)7-5-2;1-2/h4,7H,1,5-6,8H2,2-3H3;1-2H3/b9-7-;
InChIKeyZWHLREHYHINNKI-VILQZVERSA-N
MW154.30 g/mol
LogP4.34
Rot. Bonds4

About ethane;(5Z)-5-methylocta-1,5-diene

ethane;(5Z)-5-methylocta-1,5-diene (PubChem CID 155705867) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is ethane;(5Z)-5-methylocta-1,5-diene.

Molecular Properties

Compound Nameethane;(5Z)-5-methylocta-1,5-diene
PubChem CID155705867
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Nameethane;(5Z)-5-methylocta-1,5-diene
SMILESC=CCC/C(C)=C\CC.CC
InChIInChI=1S/C9H16.C2H6/c1-4-6-8-9(3)7-5-2;1-2/h4,7H,1,5-6,8H2,2-3H3;1-2H3/b9-7-;
InChIKeyZWHLREHYHINNKI-VILQZVERSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;(5Z)-5-methylocta-1,5-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

ethane;(5Z)-5-methylhepta-1,5-diene
CID 142997772
ethane;(2E,6E,10E)-3,6,10-trimethyltrideca-2,6,10-triene
CID 145317511
5-methylhepta-1,5-diene
CID 54049787
(9Z)-9-ethyl-5-methylundeca-1,5,9-triene
CID 59685224
N-ethyl-4-methylocta-3,7-dien-1-amine
CID 79599857
(2Z,6E)-2-iodo-6-methylnona-2,6-diene
CID 122625935
(5E,9E,13E)-5,13,18-trimethylnonadeca-1,5,9,13,17-pentaene
CID 138968984
(3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene
CID 160792784
methane;(E)-3-methylhex-3-ene
CID 157350431
methane;(Z)-3-methylhex-3-ene
CID 168892321
4-methyloct-3-ene
CID 85445337
bis(but-1-ene);tetrakis(2-methylpent-2-ene)
CID 158752842

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z)-5-methylocta-1,5-diene?
The IUPAC name of ethane;(5Z)-5-methylocta-1,5-diene (CID 155705867) is ethane;(5Z)-5-methylocta-1,5-diene.
What is the SMILES notation for ethane;(5Z)-5-methylocta-1,5-diene?
The canonical SMILES for ethane;(5Z)-5-methylocta-1,5-diene is C=CCC/C(C)=C\CC.CC.
What is the InChIKey of ethane;(5Z)-5-methylocta-1,5-diene?
The InChIKey is ZWHLREHYHINNKI-VILQZVERSA-N. The full InChI is InChI=1S/C9H16.C2H6/c1-4-6-8-9(3)7-5-2;1-2/h4,7H,1,5-6,8H2,2-3H3;1-2H3/b9-7-;.
What are the key properties of ethane;(5Z)-5-methylocta-1,5-diene?
ethane;(5Z)-5-methylocta-1,5-diene has a molecular weight of 154.30 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z)-5-methylocta-1,5-diene is sourced from PubChem (CID 155705867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).