(4Z)-3-methyl-2-(3-methylcyclobuten-1-yl)-1-methylidene-4-pentylidenecyclohexane

C18H28 — CID 142803991

IUPAC(4Z)-3-methyl-2-(3-methylcyclobuten-1-yl)-1-methylidene-4-pentylidenecyclohexane
SMILESC=C1CC/C(=C/CCCC)C(C)C1C1=CC(C)C1
InChIInChI=1S/C18H28/c1-5-6-7-8-16-10-9-14(3)18(15(16)4)17-11-13(2)12-17/h8,11,13,15,18H,3,5-7,9-10,12H2,1-2,4H3/b16-8-
InChIKeyUSHJYTJFBMERHK-PXNMLYILSA-N
MW244.42 g/mol
LogP5.67
Rot. Bonds4

About (4Z)-3-methyl-2-(3-methylcyclobuten-1-yl)-1-methylidene-4-pentylidenecyclohexane

(4Z)-3-methyl-2-(3-methylcyclobuten-1-yl)-1-methylidene-4-pentylidenecyclohexane (PubChem CID 142803991) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is (4Z)-3-methyl-2-(3-methylcyclobuten-1-yl)-1-methylidene-4-pentylidenecyclohexane.

Molecular Properties

Compound Name(4Z)-3-methyl-2-(3-methylcyclobuten-1-yl)-1-methylidene-4-pentylidenecyclohexane
PubChem CID142803991
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name(4Z)-3-methyl-2-(3-methylcyclobuten-1-yl)-1-methylidene-4-pentylidenecyclohexane
SMILESC=C1CC/C(=C/CCCC)C(C)C1C1=CC(C)C1
InChIInChI=1S/C18H28/c1-5-6-7-8-16-10-9-14(3)18(15(16)4)17-11-13(2)12-17/h8,11,13,15,18H,3,5-7,9-10,12H2,1-2,4H3/b16-8-
InChIKeyUSHJYTJFBMERHK-PXNMLYILSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-4-pentylidenebicyclo[3.1.0]hexane
CID 123191792
1-methyl-2-nonylidenecyclopentane
CID 123463809
(3E)-1-methyl-3-pentylidenecyclohexane
CID 6377600
1,2-di(pentylidene)cyclohexane
CID 11356709
(3R,4Z)-3-ethenyl-4-pentylideneoxolane
CID 11457887
pent-1-ene;pentylidenecyclopropane
CID 173050436
pentylidenecyclopentadecane
CID 151655236
4-pentylidenecyclohexan-1-amine
CID 79880726
(1R,2Z)-2-octylidenecyclopentan-1-ol
CID 177383761
bis(bicyclo[2.2.1]hept-1-ene);hex-1-ene
CID 23296792
2,6-di(pentylidene)cyclohexan-1-one
CID 70979876
[(2E)-2-hexylidenecyclopentyl]benzene
CID 15354301

Frequently Asked Questions

What is the IUPAC name of (4Z)-3-methyl-2-(3-methylcyclobuten-1-yl)-1-methylidene-4-pentylidenecyclohexane?
The IUPAC name of (4Z)-3-methyl-2-(3-methylcyclobuten-1-yl)-1-methylidene-4-pentylidenecyclohexane (CID 142803991) is (4Z)-3-methyl-2-(3-methylcyclobuten-1-yl)-1-methylidene-4-pentylidenecyclohexane.
What is the SMILES notation for (4Z)-3-methyl-2-(3-methylcyclobuten-1-yl)-1-methylidene-4-pentylidenecyclohexane?
The canonical SMILES for (4Z)-3-methyl-2-(3-methylcyclobuten-1-yl)-1-methylidene-4-pentylidenecyclohexane is C=C1CC/C(=C/CCCC)C(C)C1C1=CC(C)C1.
What is the InChIKey of (4Z)-3-methyl-2-(3-methylcyclobuten-1-yl)-1-methylidene-4-pentylidenecyclohexane?
The InChIKey is USHJYTJFBMERHK-PXNMLYILSA-N. The full InChI is InChI=1S/C18H28/c1-5-6-7-8-16-10-9-14(3)18(15(16)4)17-11-13(2)12-17/h8,11,13,15,18H,3,5-7,9-10,12H2,1-2,4H3/b16-8-.
What are the key properties of (4Z)-3-methyl-2-(3-methylcyclobuten-1-yl)-1-methylidene-4-pentylidenecyclohexane?
(4Z)-3-methyl-2-(3-methylcyclobuten-1-yl)-1-methylidene-4-pentylidenecyclohexane has a molecular weight of 244.42 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-methyl-2-(3-methylcyclobuten-1-yl)-1-methylidene-4-pentylidenecyclohexane is sourced from PubChem (CID 142803991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).