1-(2-methoxyethyl)-4-propan-2-ylcyclohexane

C12H24O — CID 91441021

IUPAC1-(2-methoxyethyl)-4-propan-2-ylcyclohexane
SMILESCOCCC1CCC(C(C)C)CC1
InChIInChI=1S/C12H24O/c1-10(2)12-6-4-11(5-7-12)8-9-13-3/h10-12H,4-9H2,1-3H3
InChIKeyNZZYXTOKKNGKAB-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.49
Rot. Bonds4

About 1-(2-methoxyethyl)-4-propan-2-ylcyclohexane

1-(2-methoxyethyl)-4-propan-2-ylcyclohexane (PubChem CID 91441021) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-propan-2-ylcyclohexane
PubChem CID91441021
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-(2-methoxyethyl)-4-propan-2-ylcyclohexane
SMILESCOCCC1CCC(C(C)C)CC1
InChIInChI=1S/C12H24O/c1-10(2)12-6-4-11(5-7-12)8-9-13-3/h10-12H,4-9H2,1-3H3
InChIKeyNZZYXTOKKNGKAB-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

p-Menthan-7-ol
CID 83763
Menthyl methyl ether, (-)-
CID 228343
2H-Pyran, 3-heptyltetrahydro-
CID 68443944
1-Menthyl methyl ether
CID 102648
Cyclohexaneethanol, beta-methyl-4-(1-methylethyl)-
CID 106731
4-(Methoxymethyl)-4'-pentyl-1,1'-bi(cyclohexane)
CID 565313
Cyclohexaneethanol, beta,4-dimethyl-, cis-
CID 346868
Cyclohexaneethanol, 4-(1-methylethyl)-
CID 77212
Dihydrocitronellol ethyl ether, (+-)-
CID 90843
Cyclohexane, (4-methoxybutyl)-
CID 93934
(Methoxymethyl)cyclododecane
CID 3018712
(Ethoxymethyl)cyclododecane
CID 3018713

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-propan-2-ylcyclohexane?
The IUPAC name of 1-(2-methoxyethyl)-4-propan-2-ylcyclohexane (CID 91441021) is 1-(2-methoxyethyl)-4-propan-2-ylcyclohexane.
What is the SMILES notation for 1-(2-methoxyethyl)-4-propan-2-ylcyclohexane?
The canonical SMILES for 1-(2-methoxyethyl)-4-propan-2-ylcyclohexane is COCCC1CCC(C(C)C)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-propan-2-ylcyclohexane?
The InChIKey is NZZYXTOKKNGKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-10(2)12-6-4-11(5-7-12)8-9-13-3/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-4-propan-2-ylcyclohexane?
1-(2-methoxyethyl)-4-propan-2-ylcyclohexane has a molecular weight of 184.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-propan-2-ylcyclohexane is sourced from PubChem (CID 91441021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).