10-chloro-14,14-dimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol

C16H21ClO3 — CID 62932992

IUPAC10-chloro-14,14-dimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol
SMILESCC1(C)CCc2c(Cl)cc3c(c2C(O)C1)OCCCO3
InChIInChI=1S/C16H21ClO3/c1-16(2)5-4-10-11(17)8-13-15(14(10)12(18)9-16)20-7-3-6-19-13/h8,12,18H,3-7,9H2,1-2H3
InChIKeyZGMIRLOHWNXUGG-UHFFFAOYSA-N
MW296.79 g/mol
LogP3.90
Rot. Bonds

About 10-chloro-14,14-dimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol

10-chloro-14,14-dimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol (PubChem CID 62932992) has the molecular formula C16H21ClO3 and a molecular weight of 296.79 g/mol. Its IUPAC name is 10-chloro-14,14-dimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol.

Molecular Properties

Compound Name10-chloro-14,14-dimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol
PubChem CID62932992
Molecular FormulaC16H21ClO3
Molecular Weight296.79 g/mol
Exact Mass296.12
IUPAC Name10-chloro-14,14-dimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol
SMILESCC1(C)CCc2c(Cl)cc3c(c2C(O)C1)OCCCO3
InChIInChI=1S/C16H21ClO3/c1-16(2)5-4-10-11(17)8-13-15(14(10)12(18)9-16)20-7-3-6-19-13/h8,12,18H,3-7,9H2,1-2H3
InChIKeyZGMIRLOHWNXUGG-UHFFFAOYSA-N
XLogP3.90
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.79
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10-chloro-14,14-dimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol with MolForge

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Related Compounds

10-chloro-N,14,14-trimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine
CID 62933687
(16S)-10-chloro-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol
CID 79014140
10-chloro-14,14-dimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-one
CID 62932989
7-chloro-2,3,4,8,9,10-hexahydrobenzo[i][1,5]benzodioxepin-11-one
CID 62732067
8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 84680580
7-bromo-10-chloro-8,8-dimethyl-3,4,9,10-tetrahydro-2H-cyclopenta[i][1,5]benzodioxepine
CID 79838644
8-chloro-6-piperidin-3-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117456067
6-chloro-N,7,7-trimethyl-2,3,8,9-tetrahydrocyclopenta[h][1,4]benzodioxin-9-amine
CID 79838512
1-(8-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)cyclopropan-1-ol
CID 117400328
2-(8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol
CID 117358661
1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropan-1-ol
CID 117353948
2-(8-chloro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidine
CID 117456238

Frequently Asked Questions

What is the IUPAC name of 10-chloro-14,14-dimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol?
The IUPAC name of 10-chloro-14,14-dimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol (CID 62932992) is 10-chloro-14,14-dimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol.
What is the SMILES notation for 10-chloro-14,14-dimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol?
The canonical SMILES for 10-chloro-14,14-dimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol is CC1(C)CCc2c(Cl)cc3c(c2C(O)C1)OCCCO3.
What is the InChIKey of 10-chloro-14,14-dimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol?
The InChIKey is ZGMIRLOHWNXUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO3/c1-16(2)5-4-10-11(17)8-13-15(14(10)12(18)9-16)20-7-3-6-19-13/h8,12,18H,3-7,9H2,1-2H3.
What are the key properties of 10-chloro-14,14-dimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol?
10-chloro-14,14-dimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol has a molecular weight of 296.79 g/mol, XLogP of 3.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-14,14-dimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol is sourced from PubChem (CID 62932992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).