(6S,7S,10S)-10-methyl-7-non-8-en-3-yl-1,4,8-trioxaspiro[4.5]decan-6-ol

C17H30O4 — CID 67671667

IUPAC(6S,7S,10S)-10-methyl-7-non-8-en-3-yl-1,4,8-trioxaspiro[4.5]decan-6-ol
SMILESC=CCCCCC(CC)[C@@H]1OC[C@H](C)C2(OCCO2)[C@H]1O
InChIInChI=1S/C17H30O4/c1-4-6-7-8-9-14(5-2)15-16(18)17(13(3)12-19-15)20-10-11-21-17/h4,13-16,18H,1,5-12H2,2-3H3/t13-,14?,15-,16-/m0/s1
InChIKeyZFVIFWBBMWUXCD-PBBYBOOSSA-N
MW298.42 g/mol
LogP2.90
Rot. Bonds7

About (6S,7S,10S)-10-methyl-7-non-8-en-3-yl-1,4,8-trioxaspiro[4.5]decan-6-ol

(6S,7S,10S)-10-methyl-7-non-8-en-3-yl-1,4,8-trioxaspiro[4.5]decan-6-ol (PubChem CID 67671667) has the molecular formula C17H30O4 and a molecular weight of 298.42 g/mol. Its IUPAC name is (6S,7S,10S)-10-methyl-7-non-8-en-3-yl-1,4,8-trioxaspiro[4.5]decan-6-ol.

Molecular Properties

Compound Name(6S,7S,10S)-10-methyl-7-non-8-en-3-yl-1,4,8-trioxaspiro[4.5]decan-6-ol
PubChem CID67671667
Molecular FormulaC17H30O4
Molecular Weight298.42 g/mol
Exact Mass298.21
IUPAC Name(6S,7S,10S)-10-methyl-7-non-8-en-3-yl-1,4,8-trioxaspiro[4.5]decan-6-ol
SMILESC=CCCCCC(CC)[C@@H]1OC[C@H](C)C2(OCCO2)[C@H]1O
InChIInChI=1S/C17H30O4/c1-4-6-7-8-9-14(5-2)15-16(18)17(13(3)12-19-15)20-10-11-21-17/h4,13-16,18H,1,5-12H2,2-3H3/t13-,14?,15-,16-/m0/s1
InChIKeyZFVIFWBBMWUXCD-PBBYBOOSSA-N
XLogP2.90
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S,7S,10S)-10-methyl-7-non-8-en-3-yl-1,4,8-trioxaspiro[4.5]decan-6-ol?
The IUPAC name of (6S,7S,10S)-10-methyl-7-non-8-en-3-yl-1,4,8-trioxaspiro[4.5]decan-6-ol (CID 67671667) is (6S,7S,10S)-10-methyl-7-non-8-en-3-yl-1,4,8-trioxaspiro[4.5]decan-6-ol.
What is the SMILES notation for (6S,7S,10S)-10-methyl-7-non-8-en-3-yl-1,4,8-trioxaspiro[4.5]decan-6-ol?
The canonical SMILES for (6S,7S,10S)-10-methyl-7-non-8-en-3-yl-1,4,8-trioxaspiro[4.5]decan-6-ol is C=CCCCCC(CC)[C@@H]1OC[C@H](C)C2(OCCO2)[C@H]1O.
What is the InChIKey of (6S,7S,10S)-10-methyl-7-non-8-en-3-yl-1,4,8-trioxaspiro[4.5]decan-6-ol?
The InChIKey is ZFVIFWBBMWUXCD-PBBYBOOSSA-N. The full InChI is InChI=1S/C17H30O4/c1-4-6-7-8-9-14(5-2)15-16(18)17(13(3)12-19-15)20-10-11-21-17/h4,13-16,18H,1,5-12H2,2-3H3/t13-,14?,15-,16-/m0/s1.
What are the key properties of (6S,7S,10S)-10-methyl-7-non-8-en-3-yl-1,4,8-trioxaspiro[4.5]decan-6-ol?
(6S,7S,10S)-10-methyl-7-non-8-en-3-yl-1,4,8-trioxaspiro[4.5]decan-6-ol has a molecular weight of 298.42 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S,10S)-10-methyl-7-non-8-en-3-yl-1,4,8-trioxaspiro[4.5]decan-6-ol is sourced from PubChem (CID 67671667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).