(9Z)-7-cyclodecyl-2,6,6,7,10-pentamethyl-2,3,4,5-tetrahydrooxecin-8-one

C24H42O2 — CID 162787866

IUPAC(9Z)-7-cyclodecyl-2,6,6,7,10-pentamethyl-2,3,4,5-tetrahydrooxecin-8-one
SMILESC/C1=C/C(=O)C(C)(C2CCCCCCCCC2)C(C)(C)CCCC(C)O1
InChIInChI=1S/C24H42O2/c1-19-14-13-17-23(3,4)24(5,22(25)18-20(2)26-19)21-15-11-9-7-6-8-10-12-16-21/h18-19,21H,6-17H2,1-5H3/b20-18-
InChIKeyZNUIZXJZQKCQRT-ZZEZOPTASA-N
MW362.60 g/mol
LogP7.22
Rot. Bonds1

About (9Z)-7-cyclodecyl-2,6,6,7,10-pentamethyl-2,3,4,5-tetrahydrooxecin-8-one

(9Z)-7-cyclodecyl-2,6,6,7,10-pentamethyl-2,3,4,5-tetrahydrooxecin-8-one (PubChem CID 162787866) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is (9Z)-7-cyclodecyl-2,6,6,7,10-pentamethyl-2,3,4,5-tetrahydrooxecin-8-one.

Molecular Properties

Compound Name(9Z)-7-cyclodecyl-2,6,6,7,10-pentamethyl-2,3,4,5-tetrahydrooxecin-8-one
PubChem CID162787866
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Name(9Z)-7-cyclodecyl-2,6,6,7,10-pentamethyl-2,3,4,5-tetrahydrooxecin-8-one
SMILESC/C1=C/C(=O)C(C)(C2CCCCCCCCC2)C(C)(C)CCCC(C)O1
InChIInChI=1S/C24H42O2/c1-19-14-13-17-23(3,4)24(5,22(25)18-20(2)26-19)21-15-11-9-7-6-8-10-12-16-21/h18-19,21H,6-17H2,1-5H3/b20-18-
InChIKeyZNUIZXJZQKCQRT-ZZEZOPTASA-N
XLogP7.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (9Z)-7-cyclodecyl-2,6,6,7,10-pentamethyl-2,3,4,5-tetrahydrooxecin-8-one with MolForge

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Launch Full Analysis

Related Compounds

(1R,4R,6R,9Z,12S)-4,9,12-trimethyl-15-propan-2-yl-5-oxatricyclo[10.3.0.04,6]pentadeca-9,14-dien-13-one
CID 46833411
(1S,4S,6S,9E,12R)-4,9,12-trimethyl-15-propan-2-yl-5-oxatricyclo[10.3.0.04,6]pentadeca-9,14-dien-13-one
CID 10380209
(1R,4S,6S,9E,12S)-4,9,12-trimethyl-15-propan-2-yl-5-oxatricyclo[10.3.0.04,6]pentadeca-9,14-dien-13-one
CID 46887713
[(2R)-4-[(1S)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl] 3-methylbutanoate
CID 137639622
(1R,4S,6S,12S)-4,9,12-trimethyl-15-propan-2-yl-5-oxatricyclo[10.3.0.04,6]pentadeca-9,14-dien-13-one
CID 163071421
2-Isopropylidene-8-isopropoxy-10-methylspiro[4.5]dec-7-en-6-one
CID 23451695
(1S,4S,6S,9Z,12R)-4,9,12-trimethyl-15-propan-2-yl-5-oxatricyclo[10.3.0.04,6]pentadeca-9,14-dien-13-one
CID 101932774
(3'R,5'Z,8Z,11S)-6',8-dimethyl-3',11-bis(prop-1-en-2-yl)spiro[2,4,5,6,7,10,11,12-octahydrocyclodeca[b]pyran-3,10'-cyclodec-5-ene]-1'-one
CID 146018137
4,9,12-Trimethyl-15-propan-2-yl-5-oxatricyclo[10.3.0.04,6]pentadeca-9,14-dien-13-one
CID 74257830
(4R,5R)-4,5-dihexyl-3-methoxycyclopent-2-en-1-one
CID 21677002
(4R,5R)-4,5-diheptyl-3-methoxycyclopent-2-en-1-one
CID 21677004
2-Isobutylidene-8-isopropoxy-10-methylspiro[4.5]dec-7-en-6-one
CID 53650404

Frequently Asked Questions

What is the IUPAC name of (9Z)-7-cyclodecyl-2,6,6,7,10-pentamethyl-2,3,4,5-tetrahydrooxecin-8-one?
The IUPAC name of (9Z)-7-cyclodecyl-2,6,6,7,10-pentamethyl-2,3,4,5-tetrahydrooxecin-8-one (CID 162787866) is (9Z)-7-cyclodecyl-2,6,6,7,10-pentamethyl-2,3,4,5-tetrahydrooxecin-8-one.
What is the SMILES notation for (9Z)-7-cyclodecyl-2,6,6,7,10-pentamethyl-2,3,4,5-tetrahydrooxecin-8-one?
The canonical SMILES for (9Z)-7-cyclodecyl-2,6,6,7,10-pentamethyl-2,3,4,5-tetrahydrooxecin-8-one is C/C1=C/C(=O)C(C)(C2CCCCCCCCC2)C(C)(C)CCCC(C)O1.
What is the InChIKey of (9Z)-7-cyclodecyl-2,6,6,7,10-pentamethyl-2,3,4,5-tetrahydrooxecin-8-one?
The InChIKey is ZNUIZXJZQKCQRT-ZZEZOPTASA-N. The full InChI is InChI=1S/C24H42O2/c1-19-14-13-17-23(3,4)24(5,22(25)18-20(2)26-19)21-15-11-9-7-6-8-10-12-16-21/h18-19,21H,6-17H2,1-5H3/b20-18-.
What are the key properties of (9Z)-7-cyclodecyl-2,6,6,7,10-pentamethyl-2,3,4,5-tetrahydrooxecin-8-one?
(9Z)-7-cyclodecyl-2,6,6,7,10-pentamethyl-2,3,4,5-tetrahydrooxecin-8-one has a molecular weight of 362.60 g/mol, XLogP of 7.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-7-cyclodecyl-2,6,6,7,10-pentamethyl-2,3,4,5-tetrahydrooxecin-8-one is sourced from PubChem (CID 162787866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).