(5S)-6,10,10-trimethylspiro[4.5]decan-3-ol

C13H24O — CID 130927419

IUPAC(5S)-6,10,10-trimethylspiro[4.5]decan-3-ol
SMILESCC1CCCC(C)(C)[C@]12CCC(O)C2
InChIInChI=1S/C13H24O/c1-10-5-4-7-12(2,3)13(10)8-6-11(14)9-13/h10-11,14H,4-9H2,1-3H3/t10?,11?,13-/m0/s1
InChIKeyUCYYIHLOXDKEIL-XIVSLSHWSA-N
MW196.33 g/mol
LogP3.36
Rot. Bonds

About (5S)-6,10,10-trimethylspiro[4.5]decan-3-ol

(5S)-6,10,10-trimethylspiro[4.5]decan-3-ol (PubChem CID 130927419) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (5S)-6,10,10-trimethylspiro[4.5]decan-3-ol.

Molecular Properties

Compound Name(5S)-6,10,10-trimethylspiro[4.5]decan-3-ol
PubChem CID130927419
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(5S)-6,10,10-trimethylspiro[4.5]decan-3-ol
SMILESCC1CCCC(C)(C)[C@]12CCC(O)C2
InChIInChI=1S/C13H24O/c1-10-5-4-7-12(2,3)13(10)8-6-11(14)9-13/h10-11,14H,4-9H2,1-3H3/t10?,11?,13-/m0/s1
InChIKeyUCYYIHLOXDKEIL-XIVSLSHWSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-6,10,10-trimethylspiro[4.5]decan-3-ol?
The IUPAC name of (5S)-6,10,10-trimethylspiro[4.5]decan-3-ol (CID 130927419) is (5S)-6,10,10-trimethylspiro[4.5]decan-3-ol.
What is the SMILES notation for (5S)-6,10,10-trimethylspiro[4.5]decan-3-ol?
The canonical SMILES for (5S)-6,10,10-trimethylspiro[4.5]decan-3-ol is CC1CCCC(C)(C)[C@]12CCC(O)C2.
What is the InChIKey of (5S)-6,10,10-trimethylspiro[4.5]decan-3-ol?
The InChIKey is UCYYIHLOXDKEIL-XIVSLSHWSA-N. The full InChI is InChI=1S/C13H24O/c1-10-5-4-7-12(2,3)13(10)8-6-11(14)9-13/h10-11,14H,4-9H2,1-3H3/t10?,11?,13-/m0/s1.
What are the key properties of (5S)-6,10,10-trimethylspiro[4.5]decan-3-ol?
(5S)-6,10,10-trimethylspiro[4.5]decan-3-ol has a molecular weight of 196.33 g/mol, XLogP of 3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6,10,10-trimethylspiro[4.5]decan-3-ol is sourced from PubChem (CID 130927419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).