1,5-dimethyltetracyclo[10.3.1.02,10.05,9]hexadec-13-en-16-one

C18H26O — CID 4619766

IUPAC1,5-dimethyltetracyclo[10.3.1.02,10.05,9]hexadec-13-en-16-one
SMILESCC12CCCC1C1CC3C=CCC(C)(C3=O)C1CC2
InChIInChI=1S/C18H26O/c1-17-8-4-6-14(17)13-11-12-5-3-9-18(2,16(12)19)15(13)7-10-17/h3,5,12-15H,4,6-11H2,1-2H3
InChIKeyHJBICSUPHUCGEQ-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.37
Rot. Bonds

About 1,5-dimethyltetracyclo[10.3.1.02,10.05,9]hexadec-13-en-16-one

1,5-dimethyltetracyclo[10.3.1.02,10.05,9]hexadec-13-en-16-one (PubChem CID 4619766) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 1,5-dimethyltetracyclo[10.3.1.02,10.05,9]hexadec-13-en-16-one.

Molecular Properties

Compound Name1,5-dimethyltetracyclo[10.3.1.02,10.05,9]hexadec-13-en-16-one
PubChem CID4619766
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name1,5-dimethyltetracyclo[10.3.1.02,10.05,9]hexadec-13-en-16-one
SMILESCC12CCCC1C1CC3C=CCC(C)(C3=O)C1CC2
InChIInChI=1S/C18H26O/c1-17-8-4-6-14(17)13-11-12-5-3-9-18(2,16(12)19)15(13)7-10-17/h3,5,12-15H,4,6-11H2,1-2H3
InChIKeyHJBICSUPHUCGEQ-UHFFFAOYSA-N
XLogP4.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,5-dimethyltetracyclo[10.3.1.02,10.05,9]hexadec-13-en-16-one with MolForge

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Related Compounds

6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 20713795
acetaldehyde;10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one;ethane
CID 142955300
(8R,9R,10R,13R,14R)-4,4,10,13-tetramethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
CID 124912176
(10R,13S)-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 134212723
(8S,9S,10R,13S,14S)-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 10778605
(8S,9S,10R,13S,14S)-2,2-dihydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
CID 22797419
(8S,9R,10R,13S,14S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-2-carbonyl chloride
CID 57025590
(5S,8S,9S,10S,13S,14S)-1,10,13-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 67719936
(8S,9S,10S,13S,14S)-2-(hydroxymethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-1-one
CID 67518439
(3S,8S,10R,13S)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-thiol
CID 168990563
(8S,9S,10R,13S,14S)-3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 54474054
(1S,10R,11S,14S,18S)-10,14-dimethylpentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-en-7-one
CID 57082413

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyltetracyclo[10.3.1.02,10.05,9]hexadec-13-en-16-one?
The IUPAC name of 1,5-dimethyltetracyclo[10.3.1.02,10.05,9]hexadec-13-en-16-one (CID 4619766) is 1,5-dimethyltetracyclo[10.3.1.02,10.05,9]hexadec-13-en-16-one.
What is the SMILES notation for 1,5-dimethyltetracyclo[10.3.1.02,10.05,9]hexadec-13-en-16-one?
The canonical SMILES for 1,5-dimethyltetracyclo[10.3.1.02,10.05,9]hexadec-13-en-16-one is CC12CCCC1C1CC3C=CCC(C)(C3=O)C1CC2.
What is the InChIKey of 1,5-dimethyltetracyclo[10.3.1.02,10.05,9]hexadec-13-en-16-one?
The InChIKey is HJBICSUPHUCGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-17-8-4-6-14(17)13-11-12-5-3-9-18(2,16(12)19)15(13)7-10-17/h3,5,12-15H,4,6-11H2,1-2H3.
What are the key properties of 1,5-dimethyltetracyclo[10.3.1.02,10.05,9]hexadec-13-en-16-one?
1,5-dimethyltetracyclo[10.3.1.02,10.05,9]hexadec-13-en-16-one has a molecular weight of 258.40 g/mol, XLogP of 4.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyltetracyclo[10.3.1.02,10.05,9]hexadec-13-en-16-one is sourced from PubChem (CID 4619766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).