1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone

C19H32O2 — CID 115814070

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCC1(C)CC(C(=O)C2CCC3CCCCC3C2)C(C)(C)O1
InChIInChI=1S/C19H32O2/c1-18(2)12-16(19(3,4)21-18)17(20)15-10-9-13-7-5-6-8-14(13)11-15/h13-16H,5-12H2,1-4H3
InChIKeyDHULPZSNTMEWHM-UHFFFAOYSA-N
MW292.46 g/mol
LogP4.76
Rot. Bonds2

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone (PubChem CID 115814070) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
PubChem CID115814070
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCC1(C)CC(C(=O)C2CCC3CCCCC3C2)C(C)(C)O1
InChIInChI=1S/C19H32O2/c1-18(2)12-16(19(3,4)21-18)17(20)15-10-9-13-7-5-6-8-14(13)11-15/h13-16H,5-12H2,1-4H3
InChIKeyDHULPZSNTMEWHM-UHFFFAOYSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 114622352
(4-ethylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 114622432
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclohexyl)methanone
CID 114962205
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-ethylcyclohexyl)methanone
CID 114975947
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid;acetic acid
CID 175499528
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-1-one
CID 114962133
(3R,4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene-3-carboxylic acid
CID 131049059
2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one
CID 103451300
3-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-ol
CID 114624248
(2-amino-1-methylcyclopentyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 114624726
potassium;1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylate;cyclobutane;cyclopentane
CID 142046655
2-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)but-2-en-1-one
CID 103447272

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone (CID 115814070) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone is CC1(C)CC(C(=O)C2CCC3CCCCC3C2)C(C)(C)O1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The InChIKey is DHULPZSNTMEWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-18(2)12-16(19(3,4)21-18)17(20)15-10-9-13-7-5-6-8-14(13)11-15/h13-16H,5-12H2,1-4H3.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone has a molecular weight of 292.46 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone is sourced from PubChem (CID 115814070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).