1-ethoxy-2-methylidene-3-propan-2-ylcyclohexane

C12H22O — CID 123488013

IUPAC1-ethoxy-2-methylidene-3-propan-2-ylcyclohexane
SMILESC=C1C(OCC)CCCC1C(C)C
InChIInChI=1S/C12H22O/c1-5-13-12-8-6-7-11(9(2)3)10(12)4/h9,11-12H,4-8H2,1-3H3
InChIKeyCYRDSZZYVSYGFV-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.40
Rot. Bonds3

About 1-ethoxy-2-methylidene-3-propan-2-ylcyclohexane

1-ethoxy-2-methylidene-3-propan-2-ylcyclohexane (PubChem CID 123488013) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-ethoxy-2-methylidene-3-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-ethoxy-2-methylidene-3-propan-2-ylcyclohexane
PubChem CID123488013
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-ethoxy-2-methylidene-3-propan-2-ylcyclohexane
SMILESC=C1C(OCC)CCCC1C(C)C
InChIInChI=1S/C12H22O/c1-5-13-12-8-6-7-11(9(2)3)10(12)4/h9,11-12H,4-8H2,1-3H3
InChIKeyCYRDSZZYVSYGFV-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Menthadienyl acetate
CID 524461
Cyclohexanol, 2-methylene-5-(1-methylethenyl)-, acetate, (1S-cis)-
CID 44147699
Cyclohexane, 2-(1-butoxyethoxy)-1-methylene-4-(1-methylethyl)-, (4R)-
CID 86680875
Matatabiether
CID 5319300
(1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-2-enoxycyclohexane
CID 11063361
P-1(7)8-Menthadien-2-yl acetate, trans-
CID 21601559
Menthyl allyl ether
CID 11106286
[2-Methyl-1-(2-methylprop-2-enoxy)prop-2-enyl]cyclohexane
CID 20816777
2-(4-Methylpent-1-en-2-yl)oxane
CID 70645404
2-Methylidene-1-propan-2-yl-3-(trifluoromethoxy)cyclohexane
CID 123341141
Cyclohexanol, 2-methylene-3-(1-methylethenyl)-, acetate, cis-
CID 22213002
Benzofuran, octahydro-6-methyl-3-methylene-
CID 556861

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-methylidene-3-propan-2-ylcyclohexane?
The IUPAC name of 1-ethoxy-2-methylidene-3-propan-2-ylcyclohexane (CID 123488013) is 1-ethoxy-2-methylidene-3-propan-2-ylcyclohexane.
What is the SMILES notation for 1-ethoxy-2-methylidene-3-propan-2-ylcyclohexane?
The canonical SMILES for 1-ethoxy-2-methylidene-3-propan-2-ylcyclohexane is C=C1C(OCC)CCCC1C(C)C.
What is the InChIKey of 1-ethoxy-2-methylidene-3-propan-2-ylcyclohexane?
The InChIKey is CYRDSZZYVSYGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-5-13-12-8-6-7-11(9(2)3)10(12)4/h9,11-12H,4-8H2,1-3H3.
What are the key properties of 1-ethoxy-2-methylidene-3-propan-2-ylcyclohexane?
1-ethoxy-2-methylidene-3-propan-2-ylcyclohexane has a molecular weight of 182.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-methylidene-3-propan-2-ylcyclohexane is sourced from PubChem (CID 123488013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).