4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol

C17H30O2 — CID 79913776

IUPAC4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol
SMILESCC1(C)CCCC(O)(C2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C17H30O2/c1-15(2)6-3-9-17(18,11-10-15)14-5-12-19-16(13-14)7-4-8-16/h14,18H,3-13H2,1-2H3
InChIKeyMKHGJCPVXOJXSZ-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.06
Rot. Bonds1

About 4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol

4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol (PubChem CID 79913776) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol
PubChem CID79913776
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol
SMILESCC1(C)CCCC(O)(C2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C17H30O2/c1-15(2)6-3-9-17(18,11-10-15)14-5-12-19-16(13-14)7-4-8-16/h14,18H,3-13H2,1-2H3
InChIKeyMKHGJCPVXOJXSZ-UHFFFAOYSA-N
XLogP4.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol with MolForge

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Related Compounds

1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912854
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4,4-dimethylcyclohexan-1-ol
CID 79912494
1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79900915
4,4-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cycloheptan-1-ol
CID 79913693
4,4-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79912723
4-(methylamino)-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79923576
1-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-ol
CID 79899741
4-(5-oxaspiro[3.5]nonan-8-yl)azepan-4-ol
CID 103982956
2,4,4-trimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-ol
CID 81314576
1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912746
5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)thian-3-ol
CID 79947103
3,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79913175

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol?
The IUPAC name of 4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol (CID 79913776) is 4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol is CC1(C)CCCC(O)(C2CCOC3(CCC3)C2)CC1.
What is the InChIKey of 4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol?
The InChIKey is MKHGJCPVXOJXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-15(2)6-3-9-17(18,11-10-15)14-5-12-19-16(13-14)7-4-8-16/h14,18H,3-13H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol?
4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol has a molecular weight of 266.42 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol is sourced from PubChem (CID 79913776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).