ethane;(3Z)-6-methyl-5-methylideneocta-1,3-diene;hydroiodide

C12H23I — CID 143199544

IUPACethane;(3Z)-6-methyl-5-methylideneocta-1,3-diene;hydroiodide
SMILESC=C/C=C\C(=C)C(C)CC.CC.I
InChIInChI=1S/C10H16.C2H6.HI/c1-5-7-8-10(4)9(3)6-2;1-2;/h5,7-9H,1,4,6H2,2-3H3;1-2H3;1H/b8-7-;;
InChIKeyPLHORZWKODINFC-OTMFCZTRSA-N
MW294.22 g/mol
LogP4.98
Rot. Bonds4

About ethane;(3Z)-6-methyl-5-methylideneocta-1,3-diene;hydroiodide

ethane;(3Z)-6-methyl-5-methylideneocta-1,3-diene;hydroiodide (PubChem CID 143199544) has the molecular formula C12H23I and a molecular weight of 294.22 g/mol. Its IUPAC name is ethane;(3Z)-6-methyl-5-methylideneocta-1,3-diene;hydroiodide.

Molecular Properties

Compound Nameethane;(3Z)-6-methyl-5-methylideneocta-1,3-diene;hydroiodide
PubChem CID143199544
Molecular FormulaC12H23I
Molecular Weight294.22 g/mol
Exact Mass294.08
IUPAC Nameethane;(3Z)-6-methyl-5-methylideneocta-1,3-diene;hydroiodide
SMILESC=C/C=C\C(=C)C(C)CC.CC.I
InChIInChI=1S/C10H16.C2H6.HI/c1-5-7-8-10(4)9(3)6-2;1-2;/h5,7-9H,1,4,6H2,2-3H3;1-2H3;1H/b8-7-;;
InChIKeyPLHORZWKODINFC-OTMFCZTRSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-4-methylideneocta-5,7-dien-3-ol
CID 143759474
(Z)-5-methyl-4-methylidenehept-2-ene
CID 142042502
5,6,7-trimethylnona-1,3,5-triene
CID 123607192
6-bromo-5-methylidenehepta-1,3-diene
CID 123730228
ethane;(3Z)-8,8,9-trimethyl-5-methylidene-6-propan-2-ylundeca-1,3-diene
CID 178166429
(3Z,7Z)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 143727055
2-methyl-3-methylidenehepta-4,6-dienoic acid
CID 123881666
diethyl 2-[(3Z)-hexa-1,3,5-trien-2-yl]propanedioate
CID 143898880
(NE)-N-[(3R)-3-methyl-2-methylidenepentylidene]hydroxylamine
CID 177442620
ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene
CID 144723819
7-methyl-5-methylideneocta-1,3-diene
CID 123347446
ethane;(2Z,4Z)-7-methyl-6-methylideneundeca-2,4-diene
CID 167457633

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-6-methyl-5-methylideneocta-1,3-diene;hydroiodide?
The IUPAC name of ethane;(3Z)-6-methyl-5-methylideneocta-1,3-diene;hydroiodide (CID 143199544) is ethane;(3Z)-6-methyl-5-methylideneocta-1,3-diene;hydroiodide.
What is the SMILES notation for ethane;(3Z)-6-methyl-5-methylideneocta-1,3-diene;hydroiodide?
The canonical SMILES for ethane;(3Z)-6-methyl-5-methylideneocta-1,3-diene;hydroiodide is C=C/C=C\C(=C)C(C)CC.CC.I.
What is the InChIKey of ethane;(3Z)-6-methyl-5-methylideneocta-1,3-diene;hydroiodide?
The InChIKey is PLHORZWKODINFC-OTMFCZTRSA-N. The full InChI is InChI=1S/C10H16.C2H6.HI/c1-5-7-8-10(4)9(3)6-2;1-2;/h5,7-9H,1,4,6H2,2-3H3;1-2H3;1H/b8-7-;;.
What are the key properties of ethane;(3Z)-6-methyl-5-methylideneocta-1,3-diene;hydroiodide?
ethane;(3Z)-6-methyl-5-methylideneocta-1,3-diene;hydroiodide has a molecular weight of 294.22 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-6-methyl-5-methylideneocta-1,3-diene;hydroiodide is sourced from PubChem (CID 143199544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).