1,3-diethyl-2-methylidenecyclohexane

C11H20 — CID 58088314

IUPAC1,3-diethyl-2-methylidenecyclohexane
SMILESC=C1C(CC)CCCC1CC
InChIInChI=1S/C11H20/c1-4-10-7-6-8-11(5-2)9(10)3/h10-11H,3-8H2,1-2H3
InChIKeyAJBIOHTVWQFQFZ-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.78
Rot. Bonds2

About 1,3-diethyl-2-methylidenecyclohexane

1,3-diethyl-2-methylidenecyclohexane (PubChem CID 58088314) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1,3-diethyl-2-methylidenecyclohexane.

Molecular Properties

Compound Name1,3-diethyl-2-methylidenecyclohexane
PubChem CID58088314
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1,3-diethyl-2-methylidenecyclohexane
SMILESC=C1C(CC)CCCC1CC
InChIInChI=1S/C11H20/c1-4-10-7-6-8-11(5-2)9(10)3/h10-11H,3-8H2,1-2H3
InChIKeyAJBIOHTVWQFQFZ-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1-fluoro-1-methyl-3-methylidenecycloheptane
CID 174254337
2,6-diethylcyclohexen-1-ol
CID 101312088
2-methylidenecyclohexane-1,3-diamine
CID 89104268
(1R,3S,5S)-3-ethyl-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane
CID 90954525
(3Z)-3-(2-ethylcyclopentylidene)propan-1-ol
CID 134971688
2-ethylcyclohexan-1-one;formic acid
CID 137364111
2-ethyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexan-1-imine
CID 146626302
ethane;(2E)-1-ethyl-2-ethylidenecyclopentane
CID 91157114
lithium 6-ethylcyclohexen-1-olate
CID 134976010
(2R)-1-methylidene-2-propylcyclohexane
CID 134991246
1-(2-ethylcyclopentylidene)propan-2-ol
CID 104865557
ethane;ethene;ethylcyclobutane
CID 164586585

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-methylidenecyclohexane?
The IUPAC name of 1,3-diethyl-2-methylidenecyclohexane (CID 58088314) is 1,3-diethyl-2-methylidenecyclohexane.
What is the SMILES notation for 1,3-diethyl-2-methylidenecyclohexane?
The canonical SMILES for 1,3-diethyl-2-methylidenecyclohexane is C=C1C(CC)CCCC1CC.
What is the InChIKey of 1,3-diethyl-2-methylidenecyclohexane?
The InChIKey is AJBIOHTVWQFQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-4-10-7-6-8-11(5-2)9(10)3/h10-11H,3-8H2,1-2H3.
What are the key properties of 1,3-diethyl-2-methylidenecyclohexane?
1,3-diethyl-2-methylidenecyclohexane has a molecular weight of 152.28 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-methylidenecyclohexane is sourced from PubChem (CID 58088314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).