(4,8-dimethyl-2-prop-2-enylidene-3,3a,4,5,6,7,8,8a-octahydro-1H-azulen-6-yl) acetate

C17H26O2 — CID 175477796

IUPAC(4,8-dimethyl-2-prop-2-enylidene-3,3a,4,5,6,7,8,8a-octahydro-1H-azulen-6-yl) acetate
SMILESC=CC=C1CC2C(C)CC(OC(C)=O)CC(C)C2C1
InChIInChI=1S/C17H26O2/c1-5-6-14-9-16-11(2)7-15(19-13(4)18)8-12(3)17(16)10-14/h5-6,11-12,15-17H,1,7-10H2,2-4H3/b14-6-
InChIKeyMQHLCMUCHBGZCR-NSIKDUERSA-N
MW262.39 g/mol
LogP4.12
Rot. Bonds2

About (4,8-dimethyl-2-prop-2-enylidene-3,3a,4,5,6,7,8,8a-octahydro-1H-azulen-6-yl) acetate

(4,8-dimethyl-2-prop-2-enylidene-3,3a,4,5,6,7,8,8a-octahydro-1H-azulen-6-yl) acetate (PubChem CID 175477796) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (4,8-dimethyl-2-prop-2-enylidene-3,3a,4,5,6,7,8,8a-octahydro-1H-azulen-6-yl) acetate.

Molecular Properties

Compound Name(4,8-dimethyl-2-prop-2-enylidene-3,3a,4,5,6,7,8,8a-octahydro-1H-azulen-6-yl) acetate
PubChem CID175477796
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(4,8-dimethyl-2-prop-2-enylidene-3,3a,4,5,6,7,8,8a-octahydro-1H-azulen-6-yl) acetate
SMILESC=CC=C1CC2C(C)CC(OC(C)=O)CC(C)C2C1
InChIInChI=1S/C17H26O2/c1-5-6-14-9-16-11(2)7-15(19-13(4)18)8-12(3)17(16)10-14/h5-6,11-12,15-17H,1,7-10H2,2-4H3/b14-6-
InChIKeyMQHLCMUCHBGZCR-NSIKDUERSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,7,8,8a-octahydro-1H-azulen-6-yl) acetate
CID 174986883
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl acetate
CID 142155546
(6-acetyloxycyclodecyl) acetate
CID 539578
[(1R,3S)-3-acetyloxy-5-bromocyclohexyl] acetate
CID 134901795
cycloheptadecyl acetate
CID 57215828
(6,7,8,8-tetramethyl-8-azoniabicyclo[3.2.1]octan-3-yl) acetate
CID 59951372
(3-formyloxy-5-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 89063658
[(1S,5S)-3-ethenyl-5-methylcyclohex-2-en-1-yl] acetate
CID 10511585
(10,13-dimethyl-17-prop-2-enylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl) acetate
CID 5151149
prop-2-enyl (2E)-2-[(3S)-3-acetyloxycyclopentylidene]acetate
CID 125476561
azane;cyclohexyl acetate
CID 174554221
cyclohexyl acetate;dihydrochloride
CID 140971070

Frequently Asked Questions

What is the IUPAC name of (4,8-dimethyl-2-prop-2-enylidene-3,3a,4,5,6,7,8,8a-octahydro-1H-azulen-6-yl) acetate?
The IUPAC name of (4,8-dimethyl-2-prop-2-enylidene-3,3a,4,5,6,7,8,8a-octahydro-1H-azulen-6-yl) acetate (CID 175477796) is (4,8-dimethyl-2-prop-2-enylidene-3,3a,4,5,6,7,8,8a-octahydro-1H-azulen-6-yl) acetate.
What is the SMILES notation for (4,8-dimethyl-2-prop-2-enylidene-3,3a,4,5,6,7,8,8a-octahydro-1H-azulen-6-yl) acetate?
The canonical SMILES for (4,8-dimethyl-2-prop-2-enylidene-3,3a,4,5,6,7,8,8a-octahydro-1H-azulen-6-yl) acetate is C=CC=C1CC2C(C)CC(OC(C)=O)CC(C)C2C1.
What is the InChIKey of (4,8-dimethyl-2-prop-2-enylidene-3,3a,4,5,6,7,8,8a-octahydro-1H-azulen-6-yl) acetate?
The InChIKey is MQHLCMUCHBGZCR-NSIKDUERSA-N. The full InChI is InChI=1S/C17H26O2/c1-5-6-14-9-16-11(2)7-15(19-13(4)18)8-12(3)17(16)10-14/h5-6,11-12,15-17H,1,7-10H2,2-4H3/b14-6-.
What are the key properties of (4,8-dimethyl-2-prop-2-enylidene-3,3a,4,5,6,7,8,8a-octahydro-1H-azulen-6-yl) acetate?
(4,8-dimethyl-2-prop-2-enylidene-3,3a,4,5,6,7,8,8a-octahydro-1H-azulen-6-yl) acetate has a molecular weight of 262.39 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,8-dimethyl-2-prop-2-enylidene-3,3a,4,5,6,7,8,8a-octahydro-1H-azulen-6-yl) acetate is sourced from PubChem (CID 175477796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).