8-(oxan-4-ylmethyl)spiro[4.5]decan-8-ol

C16H28O2 — CID 114819637

IUPAC8-(oxan-4-ylmethyl)spiro[4.5]decan-8-ol
SMILESOC1(CC2CCOCC2)CCC2(CCCC2)CC1
InChIInChI=1S/C16H28O2/c17-16(13-14-3-11-18-12-4-14)9-7-15(8-10-16)5-1-2-6-15/h14,17H,1-13H2
InChIKeyYRJSAGMSRHYTQS-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.67
Rot. Bonds2

About 8-(oxan-4-ylmethyl)spiro[4.5]decan-8-ol

8-(oxan-4-ylmethyl)spiro[4.5]decan-8-ol (PubChem CID 114819637) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 8-(oxan-4-ylmethyl)spiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-(oxan-4-ylmethyl)spiro[4.5]decan-8-ol
PubChem CID114819637
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name8-(oxan-4-ylmethyl)spiro[4.5]decan-8-ol
SMILESOC1(CC2CCOCC2)CCC2(CCCC2)CC1
InChIInChI=1S/C16H28O2/c17-16(13-14-3-11-18-12-4-14)9-7-15(8-10-16)5-1-2-6-15/h14,17H,1-13H2
InChIKeyYRJSAGMSRHYTQS-UHFFFAOYSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxolan-3-ylmethyl)cyclobutan-1-ol
CID 115073595
4-tert-butyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
CID 65147484
8-(oxan-4-yl)spiro[4.5]decan-8-ol
CID 114819579
3,3-dimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
CID 65153619
3-cyclopropyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
CID 65154108
3-ethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
CID 65149276
1-[(1,1-dioxothian-4-yl)methyl]cyclopropan-1-ol
CID 84778007
1-[(1,1-dioxothian-4-yl)methyl]cyclohexan-1-ol
CID 115073768
4-[[1-(chloromethyl)cyclobutyl]methyl]oxane
CID 66033311
1-(oxan-4-ylmethyl)cyclobutan-1-amine
CID 65196383
1-(oxan-4-ylmethyl)cyclopropane-1-carbaldehyde
CID 130664231
2,4,4-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
CID 81313760

Frequently Asked Questions

What is the IUPAC name of 8-(oxan-4-ylmethyl)spiro[4.5]decan-8-ol?
The IUPAC name of 8-(oxan-4-ylmethyl)spiro[4.5]decan-8-ol (CID 114819637) is 8-(oxan-4-ylmethyl)spiro[4.5]decan-8-ol.
What is the SMILES notation for 8-(oxan-4-ylmethyl)spiro[4.5]decan-8-ol?
The canonical SMILES for 8-(oxan-4-ylmethyl)spiro[4.5]decan-8-ol is OC1(CC2CCOCC2)CCC2(CCCC2)CC1.
What is the InChIKey of 8-(oxan-4-ylmethyl)spiro[4.5]decan-8-ol?
The InChIKey is YRJSAGMSRHYTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c17-16(13-14-3-11-18-12-4-14)9-7-15(8-10-16)5-1-2-6-15/h14,17H,1-13H2.
What are the key properties of 8-(oxan-4-ylmethyl)spiro[4.5]decan-8-ol?
8-(oxan-4-ylmethyl)spiro[4.5]decan-8-ol has a molecular weight of 252.40 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxan-4-ylmethyl)spiro[4.5]decan-8-ol is sourced from PubChem (CID 114819637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).