(4aR,6aS,10aS,10bR)-4a,7,7,10a-tetramethyl-1,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromene

C17H28O — CID 15489561

IUPAC(4aR,6aS,10aS,10bR)-4a,7,7,10a-tetramethyl-1,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromene
SMILESCC1(C)CCC[C@]2(C)[C@H]3CC=CO[C@]3(C)CC[C@@H]12
InChIInChI=1S/C17H28O/c1-15(2)9-6-10-16(3)13(15)8-11-17(4)14(16)7-5-12-18-17/h5,12-14H,6-11H2,1-4H3/t13-,14+,16-,17+/m0/s1
InChIKeyPTSWQZGZSZFGQN-HDEZJCGLSA-N
MW248.41 g/mol
LogP4.92
Rot. Bonds

About (4aR,6aS,10aS,10bR)-4a,7,7,10a-tetramethyl-1,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromene

(4aR,6aS,10aS,10bR)-4a,7,7,10a-tetramethyl-1,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromene (PubChem CID 15489561) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is (4aR,6aS,10aS,10bR)-4a,7,7,10a-tetramethyl-1,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromene.

Molecular Properties

Compound Name(4aR,6aS,10aS,10bR)-4a,7,7,10a-tetramethyl-1,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromene
PubChem CID15489561
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name(4aR,6aS,10aS,10bR)-4a,7,7,10a-tetramethyl-1,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromene
SMILESCC1(C)CCC[C@]2(C)[C@H]3CC=CO[C@]3(C)CC[C@@H]12
InChIInChI=1S/C17H28O/c1-15(2)9-6-10-16(3)13(15)8-11-17(4)14(16)7-5-12-18-17/h5,12-14H,6-11H2,1-4H3/t13-,14+,16-,17+/m0/s1
InChIKeyPTSWQZGZSZFGQN-HDEZJCGLSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4aR,6aS,10aS,10bR)-4a,7,7,10a-tetramethyl-1,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromene?
The IUPAC name of (4aR,6aS,10aS,10bR)-4a,7,7,10a-tetramethyl-1,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromene (CID 15489561) is (4aR,6aS,10aS,10bR)-4a,7,7,10a-tetramethyl-1,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromene.
What is the SMILES notation for (4aR,6aS,10aS,10bR)-4a,7,7,10a-tetramethyl-1,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromene?
The canonical SMILES for (4aR,6aS,10aS,10bR)-4a,7,7,10a-tetramethyl-1,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromene is CC1(C)CCC[C@]2(C)[C@H]3CC=CO[C@]3(C)CC[C@@H]12.
What is the InChIKey of (4aR,6aS,10aS,10bR)-4a,7,7,10a-tetramethyl-1,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromene?
The InChIKey is PTSWQZGZSZFGQN-HDEZJCGLSA-N. The full InChI is InChI=1S/C17H28O/c1-15(2)9-6-10-16(3)13(15)8-11-17(4)14(16)7-5-12-18-17/h5,12-14H,6-11H2,1-4H3/t13-,14+,16-,17+/m0/s1.
What are the key properties of (4aR,6aS,10aS,10bR)-4a,7,7,10a-tetramethyl-1,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromene?
(4aR,6aS,10aS,10bR)-4a,7,7,10a-tetramethyl-1,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromene has a molecular weight of 248.41 g/mol, XLogP of 4.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6aS,10aS,10bR)-4a,7,7,10a-tetramethyl-1,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromene is sourced from PubChem (CID 15489561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).