(4aR,6R,6aR,10bR)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene

C16H26O — CID 25422397

IUPAC(4aR,6R,6aR,10bR)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene
SMILESCC(C)[C@H]1O[C@@H]2CCCC[C@@H]2C2=CCCC[C@H]21
InChIInChI=1S/C16H26O/c1-11(2)16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)17-16/h7,11,13-16H,3-6,8-10H2,1-2H3/t13-,14-,15-,16-/m1/s1
InChIKeyWUODFZJMRMJWIS-KLHDSHLOSA-N
MW234.38 g/mol
LogP4.33
Rot. Bonds1

About (4aR,6R,6aR,10bR)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene

(4aR,6R,6aR,10bR)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene (PubChem CID 25422397) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is (4aR,6R,6aR,10bR)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene.

Molecular Properties

Compound Name(4aR,6R,6aR,10bR)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene
PubChem CID25422397
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name(4aR,6R,6aR,10bR)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene
SMILESCC(C)[C@H]1O[C@@H]2CCCC[C@@H]2C2=CCCC[C@H]21
InChIInChI=1S/C16H26O/c1-11(2)16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)17-16/h7,11,13-16H,3-6,8-10H2,1-2H3/t13-,14-,15-,16-/m1/s1
InChIKeyWUODFZJMRMJWIS-KLHDSHLOSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4aR,6R,6aR,10bR)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene with MolForge

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Related Compounds

(4aR,6S,6aR,10bR)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene
CID 25422395
(4aS,6S,6aR,10bS)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene
CID 11872593
(4aS,6R,6aS,10bS)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene
CID 11872594
2-[(4aS,6S,6aS,10bS)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]-N,N,2-trimethylpropan-1-amine
CID 11909373
4-[(4aR,6R,6aS,10bR)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]-N,N-dimethylaniline
CID 100852185
2-[(4aS,6S,6aS,10bR)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]phenol
CID 928986
3-(2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl)pyridine
CID 572778
methyl (1S,3S,8aR)-1-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-isochromene-3-carboxylate
CID 101185659
(4aR,6aR,10bR)-spiro[1,2,3,4,4a,6a,7,8,9,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane]
CID 7001562
methyl 2-[(4aR,6S,6aR,10bR)-6-methyl-1,2,3,4,4a,6a,7,8,9,10b-decahydrobenzo[c]chromen-6-yl]acetate
CID 98367695
(6R)-7,8-dimethylbicyclo[4.2.0]oct-1-ene
CID 163443235
5-propan-2-yl-1,2,3,5,8,8a-hexahydronaphthalene
CID 101316650

Frequently Asked Questions

What is the IUPAC name of (4aR,6R,6aR,10bR)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene?
The IUPAC name of (4aR,6R,6aR,10bR)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene (CID 25422397) is (4aR,6R,6aR,10bR)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene.
What is the SMILES notation for (4aR,6R,6aR,10bR)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene?
The canonical SMILES for (4aR,6R,6aR,10bR)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene is CC(C)[C@H]1O[C@@H]2CCCC[C@@H]2C2=CCCC[C@H]21.
What is the InChIKey of (4aR,6R,6aR,10bR)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene?
The InChIKey is WUODFZJMRMJWIS-KLHDSHLOSA-N. The full InChI is InChI=1S/C16H26O/c1-11(2)16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)17-16/h7,11,13-16H,3-6,8-10H2,1-2H3/t13-,14-,15-,16-/m1/s1.
What are the key properties of (4aR,6R,6aR,10bR)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene?
(4aR,6R,6aR,10bR)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene has a molecular weight of 234.38 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6R,6aR,10bR)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene is sourced from PubChem (CID 25422397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).