methane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene

C16H28 — CID 142802969

IUPACmethane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene
SMILESC.C/C=C\C(C)/C=C(/C)C1=C(C)CCCC1
InChIInChI=1S/C15H24.CH4/c1-5-8-12(2)11-14(4)15-10-7-6-9-13(15)3;/h5,8,11-12H,6-7,9-10H2,1-4H3;1H4/b8-5-,14-11-;
InChIKeyOZWBQWIQBQYAQQ-KAQJYSJWSA-N
MW220.40 g/mol
LogP5.67
Rot. Bonds3

About methane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene

methane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene (PubChem CID 142802969) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is methane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene.

Molecular Properties

Compound Namemethane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene
PubChem CID142802969
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Namemethane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene
SMILESC.C/C=C\C(C)/C=C(/C)C1=C(C)CCCC1
InChIInChI=1S/C15H24.CH4/c1-5-8-12(2)11-14(4)15-10-7-6-9-13(15)3;/h5,8,11-12H,6-7,9-10H2,1-4H3;1H4/b8-5-,14-11-;
InChIKeyOZWBQWIQBQYAQQ-KAQJYSJWSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene?
The IUPAC name of methane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene (CID 142802969) is methane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene.
What is the SMILES notation for methane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene?
The canonical SMILES for methane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene is C.C/C=C\C(C)/C=C(/C)C1=C(C)CCCC1.
What is the InChIKey of methane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene?
The InChIKey is OZWBQWIQBQYAQQ-KAQJYSJWSA-N. The full InChI is InChI=1S/C15H24.CH4/c1-5-8-12(2)11-14(4)15-10-7-6-9-13(15)3;/h5,8,11-12H,6-7,9-10H2,1-4H3;1H4/b8-5-,14-11-;.
What are the key properties of methane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene?
methane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene has a molecular weight of 220.40 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene is sourced from PubChem (CID 142802969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).