benzene;ethane;(2Z,4Z)-4-methylhepta-2,4-diene

C18H32 — CID 144597093

IUPACbenzene;ethane;(2Z,4Z)-4-methylhepta-2,4-diene
SMILESC/C=C\C(C)=C/CC.CC.CC.c1ccccc1
InChIInChI=1S/C8H14.C6H6.2C2H6/c1-4-6-8(3)7-5-2;1-2-4-6-5-3-1;2*1-2/h4,6-7H,5H2,1-3H3;1-6H;2*1-2H3/b6-4-,8-7-;;;
InChIKeyGAOIRDZLVASCCH-GLMBCOHHSA-N
MW248.45 g/mol
LogP6.66
Rot. Bonds2

About benzene;ethane;(2Z,4Z)-4-methylhepta-2,4-diene

benzene;ethane;(2Z,4Z)-4-methylhepta-2,4-diene (PubChem CID 144597093) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is benzene;ethane;(2Z,4Z)-4-methylhepta-2,4-diene.

Molecular Properties

Compound Namebenzene;ethane;(2Z,4Z)-4-methylhepta-2,4-diene
PubChem CID144597093
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Namebenzene;ethane;(2Z,4Z)-4-methylhepta-2,4-diene
SMILESC/C=C\C(C)=C/CC.CC.CC.c1ccccc1
InChIInChI=1S/C8H14.C6H6.2C2H6/c1-4-6-8(3)7-5-2;1-2-4-6-5-3-1;2*1-2/h4,6-7H,5H2,1-3H3;1-6H;2*1-2H3/b6-4-,8-7-;;;
InChIKeyGAOIRDZLVASCCH-GLMBCOHHSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 56.66
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

ethane;(2Z,4Z,6E)-6-methylnona-2,4,6-triene
CID 142050106
ethane;(2Z,4Z)-4-methylocta-2,4-diene
CID 176669998
3-methylhexa-1,3-dien-1-ol
CID 154284508
(3E,5Z)-4-methylocta-3,5-diene
CID 171633334
(2Z,4Z,6Z)-6-chloro-4-methylnona-2,4,6-triene
CID 142050901
(2E,4Z)-4-methylnona-2,4-diene
CID 139728618
4-methylnona-2,4-diene
CID 123785331
4,8,8-trimethylnona-3,5-diene
CID 123895816
(3Z,5Z)-N,5-dimethylocta-1,3,5-trien-2-amine
CID 166102143
N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]ethanimine
CID 88906035
(2E,4E)-N,3-dimethylhexa-2,4-dien-1-amine
CID 55299916
(2E,4E)-4-methylhepta-2,4-dien-1-ol
CID 10654230

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;(2Z,4Z)-4-methylhepta-2,4-diene?
The IUPAC name of benzene;ethane;(2Z,4Z)-4-methylhepta-2,4-diene (CID 144597093) is benzene;ethane;(2Z,4Z)-4-methylhepta-2,4-diene.
What is the SMILES notation for benzene;ethane;(2Z,4Z)-4-methylhepta-2,4-diene?
The canonical SMILES for benzene;ethane;(2Z,4Z)-4-methylhepta-2,4-diene is C/C=C\C(C)=C/CC.CC.CC.c1ccccc1.
What is the InChIKey of benzene;ethane;(2Z,4Z)-4-methylhepta-2,4-diene?
The InChIKey is GAOIRDZLVASCCH-GLMBCOHHSA-N. The full InChI is InChI=1S/C8H14.C6H6.2C2H6/c1-4-6-8(3)7-5-2;1-2-4-6-5-3-1;2*1-2/h4,6-7H,5H2,1-3H3;1-6H;2*1-2H3/b6-4-,8-7-;;;.
What are the key properties of benzene;ethane;(2Z,4Z)-4-methylhepta-2,4-diene?
benzene;ethane;(2Z,4Z)-4-methylhepta-2,4-diene has a molecular weight of 248.45 g/mol, XLogP of 6.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;(2Z,4Z)-4-methylhepta-2,4-diene is sourced from PubChem (CID 144597093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).