5-[3-(1,3-dioxan-2-yl)propyl]-2-methylcyclohex-2-en-1-ol

C14H24O3 — CID 10037302

IUPAC5-[3-(1,3-dioxan-2-yl)propyl]-2-methylcyclohex-2-en-1-ol
SMILESCC1=CCC(CCCC2OCCCO2)CC1O
InChIInChI=1S/C14H24O3/c1-11-6-7-12(10-13(11)15)4-2-5-14-16-8-3-9-17-14/h6,12-15H,2-5,7-10H2,1H3
InChIKeyYLLJLVYWUICORR-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.64
Rot. Bonds4

About 5-[3-(1,3-dioxan-2-yl)propyl]-2-methylcyclohex-2-en-1-ol

5-[3-(1,3-dioxan-2-yl)propyl]-2-methylcyclohex-2-en-1-ol (PubChem CID 10037302) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 5-[3-(1,3-dioxan-2-yl)propyl]-2-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name5-[3-(1,3-dioxan-2-yl)propyl]-2-methylcyclohex-2-en-1-ol
PubChem CID10037302
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name5-[3-(1,3-dioxan-2-yl)propyl]-2-methylcyclohex-2-en-1-ol
SMILESCC1=CCC(CCCC2OCCCO2)CC1O
InChIInChI=1S/C14H24O3/c1-11-6-7-12(10-13(11)15)4-2-5-14-16-8-3-9-17-14/h6,12-15H,2-5,7-10H2,1H3
InChIKeyYLLJLVYWUICORR-UHFFFAOYSA-N
XLogP2.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1,3-dioxan-2-yl)propyl]-2-methylcyclohex-2-en-1-ol?
The IUPAC name of 5-[3-(1,3-dioxan-2-yl)propyl]-2-methylcyclohex-2-en-1-ol (CID 10037302) is 5-[3-(1,3-dioxan-2-yl)propyl]-2-methylcyclohex-2-en-1-ol.
What is the SMILES notation for 5-[3-(1,3-dioxan-2-yl)propyl]-2-methylcyclohex-2-en-1-ol?
The canonical SMILES for 5-[3-(1,3-dioxan-2-yl)propyl]-2-methylcyclohex-2-en-1-ol is CC1=CCC(CCCC2OCCCO2)CC1O.
What is the InChIKey of 5-[3-(1,3-dioxan-2-yl)propyl]-2-methylcyclohex-2-en-1-ol?
The InChIKey is YLLJLVYWUICORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-11-6-7-12(10-13(11)15)4-2-5-14-16-8-3-9-17-14/h6,12-15H,2-5,7-10H2,1H3.
What are the key properties of 5-[3-(1,3-dioxan-2-yl)propyl]-2-methylcyclohex-2-en-1-ol?
5-[3-(1,3-dioxan-2-yl)propyl]-2-methylcyclohex-2-en-1-ol has a molecular weight of 240.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1,3-dioxan-2-yl)propyl]-2-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 10037302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).