ethane;(5Z,7Z)-2,5,7-trimethyl-4-methylidenedeca-2,5,7-triene

C18H34 — CID 172595101

IUPACethane;(5Z,7Z)-2,5,7-trimethyl-4-methylidenedeca-2,5,7-triene
SMILESC=C(C=C(C)C)/C(C)=C\C(C)=C/CC.CC.CC
InChIInChI=1S/C14H22.2C2H6/c1-7-8-12(4)10-14(6)13(5)9-11(2)3;2*1-2/h8-10H,5,7H2,1-4,6H3;2*1-2H3/b12-8-,14-10-;;
InChIKeySJGXBGBBCJHWDS-ODEJAHFGSA-N
MW250.47 g/mol
LogP6.86
Rot. Bonds4

About ethane;(5Z,7Z)-2,5,7-trimethyl-4-methylidenedeca-2,5,7-triene

ethane;(5Z,7Z)-2,5,7-trimethyl-4-methylidenedeca-2,5,7-triene (PubChem CID 172595101) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is ethane;(5Z,7Z)-2,5,7-trimethyl-4-methylidenedeca-2,5,7-triene.

Molecular Properties

Compound Nameethane;(5Z,7Z)-2,5,7-trimethyl-4-methylidenedeca-2,5,7-triene
PubChem CID172595101
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Nameethane;(5Z,7Z)-2,5,7-trimethyl-4-methylidenedeca-2,5,7-triene
SMILESC=C(C=C(C)C)/C(C)=C\C(C)=C/CC.CC.CC
InChIInChI=1S/C14H22.2C2H6/c1-7-8-12(4)10-14(6)13(5)9-11(2)3;2*1-2/h8-10H,5,7H2,1-4,6H3;2*1-2H3/b12-8-,14-10-;;
InChIKeySJGXBGBBCJHWDS-ODEJAHFGSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(5Z,7Z)-2,5,7-trimethyl-4-methylidenedeca-2,5,7-triene?
The IUPAC name of ethane;(5Z,7Z)-2,5,7-trimethyl-4-methylidenedeca-2,5,7-triene (CID 172595101) is ethane;(5Z,7Z)-2,5,7-trimethyl-4-methylidenedeca-2,5,7-triene.
What is the SMILES notation for ethane;(5Z,7Z)-2,5,7-trimethyl-4-methylidenedeca-2,5,7-triene?
The canonical SMILES for ethane;(5Z,7Z)-2,5,7-trimethyl-4-methylidenedeca-2,5,7-triene is C=C(C=C(C)C)/C(C)=C\C(C)=C/CC.CC.CC.
What is the InChIKey of ethane;(5Z,7Z)-2,5,7-trimethyl-4-methylidenedeca-2,5,7-triene?
The InChIKey is SJGXBGBBCJHWDS-ODEJAHFGSA-N. The full InChI is InChI=1S/C14H22.2C2H6/c1-7-8-12(4)10-14(6)13(5)9-11(2)3;2*1-2/h8-10H,5,7H2,1-4,6H3;2*1-2H3/b12-8-,14-10-;;.
What are the key properties of ethane;(5Z,7Z)-2,5,7-trimethyl-4-methylidenedeca-2,5,7-triene?
ethane;(5Z,7Z)-2,5,7-trimethyl-4-methylidenedeca-2,5,7-triene has a molecular weight of 250.47 g/mol, XLogP of 6.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z,7Z)-2,5,7-trimethyl-4-methylidenedeca-2,5,7-triene is sourced from PubChem (CID 172595101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).