3-(3-methylbutyl)spiro[3.4]octan-3-ol

C13H24O — CID 164664315

IUPAC3-(3-methylbutyl)spiro[3.4]octan-3-ol
SMILESCC(C)CCC1(O)CCC12CCCC2
InChIInChI=1S/C13H24O/c1-11(2)5-8-13(14)10-9-12(13)6-3-4-7-12/h11,14H,3-10H2,1-2H3
InChIKeyMXATWOLEAKAAEX-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.51
Rot. Bonds3

About 3-(3-methylbutyl)spiro[3.4]octan-3-ol

3-(3-methylbutyl)spiro[3.4]octan-3-ol (PubChem CID 164664315) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 3-(3-methylbutyl)spiro[3.4]octan-3-ol.

Molecular Properties

Compound Name3-(3-methylbutyl)spiro[3.4]octan-3-ol
PubChem CID164664315
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name3-(3-methylbutyl)spiro[3.4]octan-3-ol
SMILESCC(C)CCC1(O)CCC12CCCC2
InChIInChI=1S/C13H24O/c1-11(2)5-8-13(14)10-9-12(13)6-3-4-7-12/h11,14H,3-10H2,1-2H3
InChIKeyMXATWOLEAKAAEX-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methylbutyl)cyclobutan-1-ol
CID 59815736
1-(chloromethyl)-1-(3-methylbutyl)cyclopentane
CID 66034231
1-(3-methylbutyl)-1-propan-2-ylcyclopentane
CID 140662970
2-methyl-1-(3-methylbutyl)cyclopentan-1-ol
CID 65154140
1-(1-hydroxy-4-methylpentyl)cyclohexan-1-ol
CID 103451630
1-[1-(3-methylbutyl)cyclopropyl]ethanol
CID 106798094
2-(3-hydroxyspiro[3.4]octan-3-yl)butanoic acid
CID 164658846
1-ethyl-1,6-dimethyl-6-(3-methylbutyl)cycloundecane
CID 91393597
1-(3-sulfanylbutyl)cyclopentan-1-ol
CID 138752508
10-propan-2-ylspiro[4.5]decan-10-ol
CID 130592861
1-(4-methylpentyl)cyclobutane-1-carbonitrile
CID 83168144
8-pent-3-ynylspiro[3.4]octan-8-ol
CID 127011833

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutyl)spiro[3.4]octan-3-ol?
The IUPAC name of 3-(3-methylbutyl)spiro[3.4]octan-3-ol (CID 164664315) is 3-(3-methylbutyl)spiro[3.4]octan-3-ol.
What is the SMILES notation for 3-(3-methylbutyl)spiro[3.4]octan-3-ol?
The canonical SMILES for 3-(3-methylbutyl)spiro[3.4]octan-3-ol is CC(C)CCC1(O)CCC12CCCC2.
What is the InChIKey of 3-(3-methylbutyl)spiro[3.4]octan-3-ol?
The InChIKey is MXATWOLEAKAAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-11(2)5-8-13(14)10-9-12(13)6-3-4-7-12/h11,14H,3-10H2,1-2H3.
What are the key properties of 3-(3-methylbutyl)spiro[3.4]octan-3-ol?
3-(3-methylbutyl)spiro[3.4]octan-3-ol has a molecular weight of 196.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutyl)spiro[3.4]octan-3-ol is sourced from PubChem (CID 164664315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).