[3-(2-methylpropoxy)-5-propan-2-yloxycyclohex-3-en-1-yl]methanol

C14H26O3 — CID 67489408

IUPAC[3-(2-methylpropoxy)-5-propan-2-yloxycyclohex-3-en-1-yl]methanol
SMILESCC(C)COC1=CC(OC(C)C)CC(CO)C1
InChIInChI=1S/C14H26O3/c1-10(2)9-16-13-5-12(8-15)6-14(7-13)17-11(3)4/h7,10-12,14-15H,5-6,8-9H2,1-4H3
InChIKeyHIYGJXABNGRMMD-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.74
Rot. Bonds6

About [3-(2-methylpropoxy)-5-propan-2-yloxycyclohex-3-en-1-yl]methanol

[3-(2-methylpropoxy)-5-propan-2-yloxycyclohex-3-en-1-yl]methanol (PubChem CID 67489408) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is [3-(2-methylpropoxy)-5-propan-2-yloxycyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[3-(2-methylpropoxy)-5-propan-2-yloxycyclohex-3-en-1-yl]methanol
PubChem CID67489408
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name[3-(2-methylpropoxy)-5-propan-2-yloxycyclohex-3-en-1-yl]methanol
SMILESCC(C)COC1=CC(OC(C)C)CC(CO)C1
InChIInChI=1S/C14H26O3/c1-10(2)9-16-13-5-12(8-15)6-14(7-13)17-11(3)4/h7,10-12,14-15H,5-6,8-9H2,1-4H3
InChIKeyHIYGJXABNGRMMD-UHFFFAOYSA-N
XLogP2.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropoxy)-5-propan-2-yloxycyclohex-3-en-1-yl]methanol?
The IUPAC name of [3-(2-methylpropoxy)-5-propan-2-yloxycyclohex-3-en-1-yl]methanol (CID 67489408) is [3-(2-methylpropoxy)-5-propan-2-yloxycyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [3-(2-methylpropoxy)-5-propan-2-yloxycyclohex-3-en-1-yl]methanol?
The canonical SMILES for [3-(2-methylpropoxy)-5-propan-2-yloxycyclohex-3-en-1-yl]methanol is CC(C)COC1=CC(OC(C)C)CC(CO)C1.
What is the InChIKey of [3-(2-methylpropoxy)-5-propan-2-yloxycyclohex-3-en-1-yl]methanol?
The InChIKey is HIYGJXABNGRMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-10(2)9-16-13-5-12(8-15)6-14(7-13)17-11(3)4/h7,10-12,14-15H,5-6,8-9H2,1-4H3.
What are the key properties of [3-(2-methylpropoxy)-5-propan-2-yloxycyclohex-3-en-1-yl]methanol?
[3-(2-methylpropoxy)-5-propan-2-yloxycyclohex-3-en-1-yl]methanol has a molecular weight of 242.36 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropoxy)-5-propan-2-yloxycyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 67489408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).