1-(7-methyl-1,4-dioxaspiro[4.4]non-8-en-9-yl)propan-2-ol

C11H18O3 — CID 14733185

IUPAC1-(7-methyl-1,4-dioxaspiro[4.4]non-8-en-9-yl)propan-2-ol
SMILESCC(O)CC1=CC(C)CC12OCCO2
InChIInChI=1S/C11H18O3/c1-8-5-10(6-9(2)12)11(7-8)13-3-4-14-11/h5,8-9,12H,3-4,6-7H2,1-2H3
InChIKeyVTMQYCJSIBIARA-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.47
Rot. Bonds2

About 1-(7-methyl-1,4-dioxaspiro[4.4]non-8-en-9-yl)propan-2-ol

1-(7-methyl-1,4-dioxaspiro[4.4]non-8-en-9-yl)propan-2-ol (PubChem CID 14733185) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-(7-methyl-1,4-dioxaspiro[4.4]non-8-en-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-(7-methyl-1,4-dioxaspiro[4.4]non-8-en-9-yl)propan-2-ol
PubChem CID14733185
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1-(7-methyl-1,4-dioxaspiro[4.4]non-8-en-9-yl)propan-2-ol
SMILESCC(O)CC1=CC(C)CC12OCCO2
InChIInChI=1S/C11H18O3/c1-8-5-10(6-9(2)12)11(7-8)13-3-4-14-11/h5,8-9,12H,3-4,6-7H2,1-2H3
InChIKeyVTMQYCJSIBIARA-UHFFFAOYSA-N
XLogP1.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.47
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)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,6-dimethyloct-6-en-1-ol
CID 123276701
(5R,7R)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-ol
CID 130809138
(5R,7S)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-ol
CID 130877533
3,6,6,9-Bisepoxy-farnesa-1,7(14),10-triene
CID 6429155
(1S)-1-[(2S)-2,5-dihydrofuran-2-yl]-6-methylheptan-1-ol
CID 10352718
4-(1,4-Dioxaspiro[4.4]non-8-en-7-yl)butan-1-ol
CID 10856443
3-(2-Methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-ol
CID 10954213
(1S,2R)-2-(2-hydroxyethyl)-4-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-ol
CID 11806057
1-(1,4-Dioxaspiro[4.5]dec-6-en-6-yl)-2,2-dimethylpropan-1-ol
CID 101702210
1-(1,4-Dioxaspiro[4.5]dec-6-en-7-yl)-2,2-dimethylpropan-1-ol
CID 101702215
2-(1,4-Dioxaspiro[4.5]dec-6-en-7-yl)propan-2-ol
CID 101702216
1-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol
CID 10058206

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-1,4-dioxaspiro[4.4]non-8-en-9-yl)propan-2-ol?
The IUPAC name of 1-(7-methyl-1,4-dioxaspiro[4.4]non-8-en-9-yl)propan-2-ol (CID 14733185) is 1-(7-methyl-1,4-dioxaspiro[4.4]non-8-en-9-yl)propan-2-ol.
What is the SMILES notation for 1-(7-methyl-1,4-dioxaspiro[4.4]non-8-en-9-yl)propan-2-ol?
The canonical SMILES for 1-(7-methyl-1,4-dioxaspiro[4.4]non-8-en-9-yl)propan-2-ol is CC(O)CC1=CC(C)CC12OCCO2.
What is the InChIKey of 1-(7-methyl-1,4-dioxaspiro[4.4]non-8-en-9-yl)propan-2-ol?
The InChIKey is VTMQYCJSIBIARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-8-5-10(6-9(2)12)11(7-8)13-3-4-14-11/h5,8-9,12H,3-4,6-7H2,1-2H3.
What are the key properties of 1-(7-methyl-1,4-dioxaspiro[4.4]non-8-en-9-yl)propan-2-ol?
1-(7-methyl-1,4-dioxaspiro[4.4]non-8-en-9-yl)propan-2-ol has a molecular weight of 198.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-1,4-dioxaspiro[4.4]non-8-en-9-yl)propan-2-ol is sourced from PubChem (CID 14733185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).