(6Z,10Z)-2-methyl-2,3,3a,4,5,8,9,12,13,13a-decahydrocyclododeca[b]furan

C15H24O — CID 18430604

IUPAC(6Z,10Z)-2-methyl-2,3,3a,4,5,8,9,12,13,13a-decahydrocyclododeca[b]furan
SMILESCC1CC2CC/C=C\CC/C=C\CCC2O1
InChIInChI=1S/C15H24O/c1-13-12-14-10-8-6-4-2-3-5-7-9-11-15(14)16-13/h4-7,13-15H,2-3,8-12H2,1H3/b6-4-,7-5-
InChIKeyOPZVRYUCATVLBU-PEPZGXQESA-N
MW220.36 g/mol
LogP4.25
Rot. Bonds

About (6Z,10Z)-2-methyl-2,3,3a,4,5,8,9,12,13,13a-decahydrocyclododeca[b]furan

(6Z,10Z)-2-methyl-2,3,3a,4,5,8,9,12,13,13a-decahydrocyclododeca[b]furan (PubChem CID 18430604) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (6Z,10Z)-2-methyl-2,3,3a,4,5,8,9,12,13,13a-decahydrocyclododeca[b]furan.

Molecular Properties

Compound Name(6Z,10Z)-2-methyl-2,3,3a,4,5,8,9,12,13,13a-decahydrocyclododeca[b]furan
PubChem CID18430604
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(6Z,10Z)-2-methyl-2,3,3a,4,5,8,9,12,13,13a-decahydrocyclododeca[b]furan
SMILESCC1CC2CC/C=C\CC/C=C\CCC2O1
InChIInChI=1S/C15H24O/c1-13-12-14-10-8-6-4-2-3-5-7-9-11-15(14)16-13/h4-7,13-15H,2-3,8-12H2,1H3/b6-4-,7-5-
InChIKeyOPZVRYUCATVLBU-PEPZGXQESA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z,10Z)-2-methyl-2,3,3a,4,5,8,9,12,13,13a-decahydrocyclododeca[b]furan?
The IUPAC name of (6Z,10Z)-2-methyl-2,3,3a,4,5,8,9,12,13,13a-decahydrocyclododeca[b]furan (CID 18430604) is (6Z,10Z)-2-methyl-2,3,3a,4,5,8,9,12,13,13a-decahydrocyclododeca[b]furan.
What is the SMILES notation for (6Z,10Z)-2-methyl-2,3,3a,4,5,8,9,12,13,13a-decahydrocyclododeca[b]furan?
The canonical SMILES for (6Z,10Z)-2-methyl-2,3,3a,4,5,8,9,12,13,13a-decahydrocyclododeca[b]furan is CC1CC2CC/C=C\CC/C=C\CCC2O1.
What is the InChIKey of (6Z,10Z)-2-methyl-2,3,3a,4,5,8,9,12,13,13a-decahydrocyclododeca[b]furan?
The InChIKey is OPZVRYUCATVLBU-PEPZGXQESA-N. The full InChI is InChI=1S/C15H24O/c1-13-12-14-10-8-6-4-2-3-5-7-9-11-15(14)16-13/h4-7,13-15H,2-3,8-12H2,1H3/b6-4-,7-5-.
What are the key properties of (6Z,10Z)-2-methyl-2,3,3a,4,5,8,9,12,13,13a-decahydrocyclododeca[b]furan?
(6Z,10Z)-2-methyl-2,3,3a,4,5,8,9,12,13,13a-decahydrocyclododeca[b]furan has a molecular weight of 220.36 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,10Z)-2-methyl-2,3,3a,4,5,8,9,12,13,13a-decahydrocyclododeca[b]furan is sourced from PubChem (CID 18430604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).