(8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanol

C10H16O3 — CID 14377557

IUPAC(8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanol
SMILESCC1=C(CO)CC2(CC1)OCCO2
InChIInChI=1S/C10H16O3/c1-8-2-3-10(6-9(8)7-11)12-4-5-13-10/h11H,2-7H2,1H3
InChIKeyRTLLJCGEBJOOEA-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.22
Rot. Bonds1

About (8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanol

(8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanol (PubChem CID 14377557) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanol.

Molecular Properties

Compound Name(8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanol
PubChem CID14377557
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanol
SMILESCC1=C(CO)CC2(CC1)OCCO2
InChIInChI=1S/C10H16O3/c1-8-2-3-10(6-9(8)7-11)12-4-5-13-10/h11H,2-7H2,1H3
InChIKeyRTLLJCGEBJOOEA-UHFFFAOYSA-N
XLogP1.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)but-3-en-2-ol
CID 10353584
3-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)propan-1-ol
CID 10845642
3-(2-Methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-ol
CID 10954213
(6,7-Dimethyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol
CID 11019847
1,4-Dioxaspiro[4.5]dec-7-en-7-ylmethanol
CID 14261605
(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylbut-2-en-1-ol
CID 54200969
7-Methyl-8-propyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 177018399
(7-Methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol
CID 10012611
(E)-4-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)but-2-en-1-ol
CID 10331222
2-(7-Methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanol
CID 10442720
[(7E)-1,4-dioxaspiro[4.7]dodec-7-en-7-yl]methanol
CID 10535957
[(7E)-1,4-dioxaspiro[4.8]tridec-7-en-7-yl]methanol
CID 10536514

Frequently Asked Questions

What is the IUPAC name of (8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanol?
The IUPAC name of (8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanol (CID 14377557) is (8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanol.
What is the SMILES notation for (8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanol?
The canonical SMILES for (8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanol is CC1=C(CO)CC2(CC1)OCCO2.
What is the InChIKey of (8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanol?
The InChIKey is RTLLJCGEBJOOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8-2-3-10(6-9(8)7-11)12-4-5-13-10/h11H,2-7H2,1H3.
What are the key properties of (8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanol?
(8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanol has a molecular weight of 184.23 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanol is sourced from PubChem (CID 14377557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).