7-(1,4-dioxaspiro[4.5]decan-6-yl)-2-methylhepta-4,5-dien-3-ol

C16H26O3 — CID 101483851

IUPAC7-(1,4-dioxaspiro[4.5]decan-6-yl)-2-methylhepta-4,5-dien-3-ol
SMILESCC(C)C(O)C=C=CCC1CCCCC12OCCO2
InChIInChI=1S/C16H26O3/c1-13(2)15(17)9-4-3-7-14-8-5-6-10-16(14)18-11-12-19-16/h3,9,13-15,17H,5-8,10-12H2,1-2H3
InChIKeyJUYQJZIIPISBSQ-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.04
Rot. Bonds4

About 7-(1,4-dioxaspiro[4.5]decan-6-yl)-2-methylhepta-4,5-dien-3-ol

7-(1,4-dioxaspiro[4.5]decan-6-yl)-2-methylhepta-4,5-dien-3-ol (PubChem CID 101483851) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 7-(1,4-dioxaspiro[4.5]decan-6-yl)-2-methylhepta-4,5-dien-3-ol.

Molecular Properties

Compound Name7-(1,4-dioxaspiro[4.5]decan-6-yl)-2-methylhepta-4,5-dien-3-ol
PubChem CID101483851
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name7-(1,4-dioxaspiro[4.5]decan-6-yl)-2-methylhepta-4,5-dien-3-ol
SMILESCC(C)C(O)C=C=CCC1CCCCC12OCCO2
InChIInChI=1S/C16H26O3/c1-13(2)15(17)9-4-3-7-14-8-5-6-10-16(14)18-11-12-19-16/h3,9,13-15,17H,5-8,10-12H2,1-2H3
InChIKeyJUYQJZIIPISBSQ-UHFFFAOYSA-N
XLogP3.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-dioxaspiro[4.5]decan-6-yl)-N,N-dimethylacetamide
CID 121001643
3-(1,4-dioxaspiro[4.5]decan-6-yl)propanenitrile
CID 5240364
3-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]propanehydrazide
CID 7336205
2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetic acid
CID 98041281
ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-enoate
CID 10423166
1-(1,4-dioxaspiro[4.4]nonan-9-yl)octan-3-one
CID 152746966
1-(1,4-dioxaspiro[4.5]decan-6-ylmethyl)-4-methylpyridin-1-ium bromide
CID 10903555
3-(4-tert-butylphenyl)-1-[4-[(6R)-1,4-dioxaspiro[4.5]decan-6-yl]-3-trimethylsilylbut-1-ynyl]cyclobutan-1-ol
CID 101483841
(9S)-9-(methoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane
CID 124672672
(6R)-1,4-dioxaspiro[4.5]decane-6-carbaldehyde;pentane
CID 168910128
6-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decane
CID 122595932
2-cyclopropyl-1-(2-methyloxan-2-yl)ethanol
CID 80684699

Frequently Asked Questions

What is the IUPAC name of 7-(1,4-dioxaspiro[4.5]decan-6-yl)-2-methylhepta-4,5-dien-3-ol?
The IUPAC name of 7-(1,4-dioxaspiro[4.5]decan-6-yl)-2-methylhepta-4,5-dien-3-ol (CID 101483851) is 7-(1,4-dioxaspiro[4.5]decan-6-yl)-2-methylhepta-4,5-dien-3-ol.
What is the SMILES notation for 7-(1,4-dioxaspiro[4.5]decan-6-yl)-2-methylhepta-4,5-dien-3-ol?
The canonical SMILES for 7-(1,4-dioxaspiro[4.5]decan-6-yl)-2-methylhepta-4,5-dien-3-ol is CC(C)C(O)C=C=CCC1CCCCC12OCCO2.
What is the InChIKey of 7-(1,4-dioxaspiro[4.5]decan-6-yl)-2-methylhepta-4,5-dien-3-ol?
The InChIKey is JUYQJZIIPISBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-13(2)15(17)9-4-3-7-14-8-5-6-10-16(14)18-11-12-19-16/h3,9,13-15,17H,5-8,10-12H2,1-2H3.
What are the key properties of 7-(1,4-dioxaspiro[4.5]decan-6-yl)-2-methylhepta-4,5-dien-3-ol?
7-(1,4-dioxaspiro[4.5]decan-6-yl)-2-methylhepta-4,5-dien-3-ol has a molecular weight of 266.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,4-dioxaspiro[4.5]decan-6-yl)-2-methylhepta-4,5-dien-3-ol is sourced from PubChem (CID 101483851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).