(1R,4S,6S)-4,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one

C15H24O — CID 90336150

IUPAC(1R,4S,6S)-4,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one
SMILESCC1(C)CC2C(=O)CC[C@H]3C[C@]3(C)CC[C@H]21
InChIInChI=1S/C15H24O/c1-14(2)9-11-12(14)6-7-15(3)8-10(15)4-5-13(11)16/h10-12H,4-9H2,1-3H3/t10-,11?,12+,15-/m0/s1
InChIKeyNAOXVJHIAQLNDX-LJIFJXJPSA-N
MW220.36 g/mol
LogP3.82
Rot. Bonds

About (1R,4S,6S)-4,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one

(1R,4S,6S)-4,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one (PubChem CID 90336150) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,4S,6S)-4,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one.

Molecular Properties

Compound Name(1R,4S,6S)-4,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one
PubChem CID90336150
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,4S,6S)-4,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one
SMILESCC1(C)CC2C(=O)CC[C@H]3C[C@]3(C)CC[C@H]21
InChIInChI=1S/C15H24O/c1-14(2)9-11-12(14)6-7-15(3)8-10(15)4-5-13(11)16/h10-12H,4-9H2,1-3H3/t10-,11?,12+,15-/m0/s1
InChIKeyNAOXVJHIAQLNDX-LJIFJXJPSA-N
XLogP3.82
TPSA17.07 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 ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,6S)-4,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one?
The IUPAC name of (1R,4S,6S)-4,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one (CID 90336150) is (1R,4S,6S)-4,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one.
What is the SMILES notation for (1R,4S,6S)-4,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one?
The canonical SMILES for (1R,4S,6S)-4,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one is CC1(C)CC2C(=O)CC[C@H]3C[C@]3(C)CC[C@H]21.
What is the InChIKey of (1R,4S,6S)-4,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one?
The InChIKey is NAOXVJHIAQLNDX-LJIFJXJPSA-N. The full InChI is InChI=1S/C15H24O/c1-14(2)9-11-12(14)6-7-15(3)8-10(15)4-5-13(11)16/h10-12H,4-9H2,1-3H3/t10-,11?,12+,15-/m0/s1.
What are the key properties of (1R,4S,6S)-4,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one?
(1R,4S,6S)-4,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one has a molecular weight of 220.36 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,6S)-4,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one is sourced from PubChem (CID 90336150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).