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

C10H16O3 — CID 10012611

IUPAC(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol
SMILESCC1=C(CO)CCC2(C1)OCCO2
InChIInChI=1S/C10H16O3/c1-8-6-10(12-4-5-13-10)3-2-9(8)7-11/h11H,2-7H2,1H3
InChIKeyJFXPWIJAKDCJTJ-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.22
Rot. Bonds1

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

(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol (PubChem CID 10012611) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol.

Molecular Properties

Compound Name(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol
PubChem CID10012611
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol
SMILESCC1=C(CO)CCC2(C1)OCCO2
InChIInChI=1S/C10H16O3/c1-8-6-10(12-4-5-13-10)3-2-9(8)7-11/h11H,2-7H2,1H3
InChIKeyJFXPWIJAKDCJTJ-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

1,4-Dioxaspiro[4.5]dec-7-ene-8-methanol, 7,9,9-trimethyl-
CID 10954861
2-[5,5-[Ethylenedioxy)-2,6,6-trimethyl-1-cyclohexenyl]-1,2-ethane-diol
CID 15663383
1-[(3aR,7aS)-2,2,7-trimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-5-methylhex-4-en-3-ol
CID 45113841
(3S)-1-[(3aR,7aS)-2,2,7-trimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-5-methylhex-4-en-3-ol
CID 139256425
Spiro[bicyclo[6.3.0]undec-1(8)-en-7-ol-3,2'-(1',3'-dioxolane)], 5,5-dimethyl-
CID 590624
(2S)-1-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)but-3-en-2-ol
CID 10353584
(6,7-Dimethyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol
CID 11019847
(8-Methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanol
CID 14377557
1,4-Dioxaspiro[4.5]dec-7-en-8-ylmethanol
CID 10964938
(2,3,3-Trimethyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol
CID 21519465
2-(1,4-Dioxaspiro[4.5]dec-7-EN-8-YL)-2-propanol
CID 22753428
3-(8-Methyl-1,4-dioxaspiro[4.4]non-8-en-9-yl)propan-1-ol
CID 86297049

Frequently Asked Questions

What is the IUPAC name of (7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol?
The IUPAC name of (7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol (CID 10012611) is (7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol.
What is the SMILES notation for (7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol?
The canonical SMILES for (7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol is CC1=C(CO)CCC2(C1)OCCO2.
What is the InChIKey of (7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol?
The InChIKey is JFXPWIJAKDCJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8-6-10(12-4-5-13-10)3-2-9(8)7-11/h11H,2-7H2,1H3.
What are the key properties of (7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol?
(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-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 (7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol is sourced from PubChem (CID 10012611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).