7-methyl-1,4-dioxaspiro[4.6]undec-7-en-10-ol

C10H16O3 — CID 10797572

IUPAC7-methyl-1,4-dioxaspiro[4.6]undec-7-en-10-ol
SMILESCC1=CCC(O)CC2(C1)OCCO2
InChIInChI=1S/C10H16O3/c1-8-2-3-9(11)7-10(6-8)12-4-5-13-10/h2,9,11H,3-7H2,1H3
InChIKeyWRAYZUKNBTWQPR-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.22
Rot. Bonds

About 7-methyl-1,4-dioxaspiro[4.6]undec-7-en-10-ol

7-methyl-1,4-dioxaspiro[4.6]undec-7-en-10-ol (PubChem CID 10797572) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 7-methyl-1,4-dioxaspiro[4.6]undec-7-en-10-ol.

Molecular Properties

Compound Name7-methyl-1,4-dioxaspiro[4.6]undec-7-en-10-ol
PubChem CID10797572
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name7-methyl-1,4-dioxaspiro[4.6]undec-7-en-10-ol
SMILESCC1=CCC(O)CC2(C1)OCCO2
InChIInChI=1S/C10H16O3/c1-8-2-3-9(11)7-10(6-8)12-4-5-13-10/h2,9,11H,3-7H2,1H3
InChIKeyWRAYZUKNBTWQPR-UHFFFAOYSA-N
XLogP1.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
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-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylbut-3-en-1-ol
CID 53465510
2-[2-(Cyclohept-1-en-1-yl)ethyl]-2-methyl-1,3-dioxolane
CID 13215923
(2S)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,6-dimethyloct-6-en-1-ol
CID 123276701
(2S)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-4-methylpent-4-en-2-ol
CID 134867169
(8-Methyl-1,4-dioxaspiro[4.5]dec-8-en-6-yl)methanol
CID 134906254
(E,3S)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylideneoct-6-ene-1,3-diol
CID 134967770
(2S)-1-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)but-3-en-2-ol
CID 10353584
5-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)pent-1-yn-3-ol
CID 10585134
3-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)propan-1-ol
CID 10845642
(7E,11E)-14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol
CID 20531398
(1S)-1-[(4R,5R)-5-[(1S)-1-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylbut-3-en-1-ol
CID 21627997
(E)-4-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-4-en-1-ol
CID 23260524

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,4-dioxaspiro[4.6]undec-7-en-10-ol?
The IUPAC name of 7-methyl-1,4-dioxaspiro[4.6]undec-7-en-10-ol (CID 10797572) is 7-methyl-1,4-dioxaspiro[4.6]undec-7-en-10-ol.
What is the SMILES notation for 7-methyl-1,4-dioxaspiro[4.6]undec-7-en-10-ol?
The canonical SMILES for 7-methyl-1,4-dioxaspiro[4.6]undec-7-en-10-ol is CC1=CCC(O)CC2(C1)OCCO2.
What is the InChIKey of 7-methyl-1,4-dioxaspiro[4.6]undec-7-en-10-ol?
The InChIKey is WRAYZUKNBTWQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8-2-3-9(11)7-10(6-8)12-4-5-13-10/h2,9,11H,3-7H2,1H3.
What are the key properties of 7-methyl-1,4-dioxaspiro[4.6]undec-7-en-10-ol?
7-methyl-1,4-dioxaspiro[4.6]undec-7-en-10-ol has a molecular weight of 184.23 g/mol, XLogP of 1.22, 0 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[4.6]undec-7-en-10-ol is sourced from PubChem (CID 10797572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).