ethane;(5E)-2-methylhepta-1,5-diene

C10H20 — CID 143084582

IUPACethane;(5E)-2-methylhepta-1,5-diene
SMILESC=C(C)CC/C=C/C.CC
InChIInChI=1S/C8H14.C2H6/c1-4-5-6-7-8(2)3;1-2/h4-5H,2,6-7H2,1,3H3;1-2H3/b5-4+;
InChIKeyXUYSDDZRHYMEDA-FXRZFVDSSA-N
MW140.27 g/mol
LogP3.94
Rot. Bonds3

About ethane;(5E)-2-methylhepta-1,5-diene

ethane;(5E)-2-methylhepta-1,5-diene (PubChem CID 143084582) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is ethane;(5E)-2-methylhepta-1,5-diene.

Molecular Properties

Compound Nameethane;(5E)-2-methylhepta-1,5-diene
PubChem CID143084582
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Nameethane;(5E)-2-methylhepta-1,5-diene
SMILESC=C(C)CC/C=C/C.CC
InChIInChI=1S/C8H14.C2H6/c1-4-5-6-7-8(2)3;1-2/h4-5H,2,6-7H2,1,3H3;1-2H3/b5-4+;
InChIKeyXUYSDDZRHYMEDA-FXRZFVDSSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(7E)-2-methylnona-1,7-diene
CID 23197153
(5Z)-hepta-1,5-dien-2-ol
CID 89297619
(2E)-6-methylhepta-2,6-dien-1-ol
CID 11105375
(2Z)-6-methylhepta-2,6-dien-1-ol
CID 11217260
2-methyldeca-1,5,9-triene
CID 163214311
6-methylhepta-2,6-dienal
CID 54465037
(4E)-2-methylhexa-1,4-diene
CID 5367524
ethane;2-methylhexa-1,5-diene;molecular hydrogen
CID 144513072
(2E,6E)-12-methyl-10-methylidenetrideca-2,6,11-triene
CID 142378055
(5Z)-2,8,9-trimethyldeca-1,5-diene
CID 142222870
10-methylundeca-6,10-dienoic acid
CID 163214310
(3E)-7-methyl-N-propylocta-3,7-dien-1-amine
CID 114477529

Frequently Asked Questions

What is the IUPAC name of ethane;(5E)-2-methylhepta-1,5-diene?
The IUPAC name of ethane;(5E)-2-methylhepta-1,5-diene (CID 143084582) is ethane;(5E)-2-methylhepta-1,5-diene.
What is the SMILES notation for ethane;(5E)-2-methylhepta-1,5-diene?
The canonical SMILES for ethane;(5E)-2-methylhepta-1,5-diene is C=C(C)CC/C=C/C.CC.
What is the InChIKey of ethane;(5E)-2-methylhepta-1,5-diene?
The InChIKey is XUYSDDZRHYMEDA-FXRZFVDSSA-N. The full InChI is InChI=1S/C8H14.C2H6/c1-4-5-6-7-8(2)3;1-2/h4-5H,2,6-7H2,1,3H3;1-2H3/b5-4+;.
What are the key properties of ethane;(5E)-2-methylhepta-1,5-diene?
ethane;(5E)-2-methylhepta-1,5-diene has a molecular weight of 140.27 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5E)-2-methylhepta-1,5-diene is sourced from PubChem (CID 143084582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).