4-[2-(4-ethoxycyclohexyl)propan-2-yl]cyclohexan-1-ol

C17H32O2 — CID 70671036

IUPAC4-[2-(4-ethoxycyclohexyl)propan-2-yl]cyclohexan-1-ol
SMILESCCOC1CCC(C(C)(C)C2CCC(O)CC2)CC1
InChIInChI=1S/C17H32O2/c1-4-19-16-11-7-14(8-12-16)17(2,3)13-5-9-15(18)10-6-13/h13-16,18H,4-12H2,1-3H3
InChIKeyNOSNAQBHLNFZCO-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.16
Rot. Bonds4

About 4-[2-(4-ethoxycyclohexyl)propan-2-yl]cyclohexan-1-ol

4-[2-(4-ethoxycyclohexyl)propan-2-yl]cyclohexan-1-ol (PubChem CID 70671036) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 4-[2-(4-ethoxycyclohexyl)propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(4-ethoxycyclohexyl)propan-2-yl]cyclohexan-1-ol
PubChem CID70671036
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name4-[2-(4-ethoxycyclohexyl)propan-2-yl]cyclohexan-1-ol
SMILESCCOC1CCC(C(C)(C)C2CCC(O)CC2)CC1
InChIInChI=1S/C17H32O2/c1-4-19-16-11-7-14(8-12-16)17(2,3)13-5-9-15(18)10-6-13/h13-16,18H,4-12H2,1-3H3
InChIKeyNOSNAQBHLNFZCO-UHFFFAOYSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethoxycyclohexyl)propan-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[2-(4-ethoxycyclohexyl)propan-2-yl]cyclohexan-1-ol (CID 70671036) is 4-[2-(4-ethoxycyclohexyl)propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-(4-ethoxycyclohexyl)propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-(4-ethoxycyclohexyl)propan-2-yl]cyclohexan-1-ol is CCOC1CCC(C(C)(C)C2CCC(O)CC2)CC1.
What is the InChIKey of 4-[2-(4-ethoxycyclohexyl)propan-2-yl]cyclohexan-1-ol?
The InChIKey is NOSNAQBHLNFZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-4-19-16-11-7-14(8-12-16)17(2,3)13-5-9-15(18)10-6-13/h13-16,18H,4-12H2,1-3H3.
What are the key properties of 4-[2-(4-ethoxycyclohexyl)propan-2-yl]cyclohexan-1-ol?
4-[2-(4-ethoxycyclohexyl)propan-2-yl]cyclohexan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethoxycyclohexyl)propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 70671036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).