11-methyl-5-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b]pyran

C16H28O — CID 143716329

IUPAC11-methyl-5-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b]pyran
SMILESCCCC1CCCCCC(C)C2=C1CCCO2
InChIInChI=1S/C16H28O/c1-3-8-14-10-6-4-5-9-13(2)16-15(14)11-7-12-17-16/h13-14H,3-12H2,1-2H3
InChIKeyLMPCUBSWOYABHN-UHFFFAOYSA-N
MW236.40 g/mol
LogP5.07
Rot. Bonds2

About 11-methyl-5-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b]pyran

11-methyl-5-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b]pyran (PubChem CID 143716329) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 11-methyl-5-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b]pyran.

Molecular Properties

Compound Name11-methyl-5-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b]pyran
PubChem CID143716329
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name11-methyl-5-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b]pyran
SMILESCCCC1CCCCCC(C)C2=C1CCCO2
InChIInChI=1S/C16H28O/c1-3-8-14-10-6-4-5-9-13(2)16-15(14)11-7-12-17-16/h13-14H,3-12H2,1-2H3
InChIKeyLMPCUBSWOYABHN-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.40
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-5-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b]pyran?
The IUPAC name of 11-methyl-5-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b]pyran (CID 143716329) is 11-methyl-5-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b]pyran.
What is the SMILES notation for 11-methyl-5-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b]pyran?
The canonical SMILES for 11-methyl-5-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b]pyran is CCCC1CCCCCC(C)C2=C1CCCO2.
What is the InChIKey of 11-methyl-5-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b]pyran?
The InChIKey is LMPCUBSWOYABHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-3-8-14-10-6-4-5-9-13(2)16-15(14)11-7-12-17-16/h13-14H,3-12H2,1-2H3.
What are the key properties of 11-methyl-5-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b]pyran?
11-methyl-5-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b]pyran has a molecular weight of 236.40 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-5-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b]pyran is sourced from PubChem (CID 143716329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).