7,7,10a-trimethyl-2,3,4a,5,6,6a,8,9,10,10b-decahydro-1H-benzo[f]chromene

C16H28O — CID 616844

IUPAC7,7,10a-trimethyl-2,3,4a,5,6,6a,8,9,10,10b-decahydro-1H-benzo[f]chromene
SMILESCC1(C)CCCC2(C)C3CCCOC3CCC12
InChIInChI=1S/C16H28O/c1-15(2)9-5-10-16(3)12-6-4-11-17-13(12)7-8-14(15)16/h12-14H,4-11H2,1-3H3
InChIKeyGNLIBEOMUZAOMG-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.41
Rot. Bonds

About 7,7,10a-trimethyl-2,3,4a,5,6,6a,8,9,10,10b-decahydro-1H-benzo[f]chromene

7,7,10a-trimethyl-2,3,4a,5,6,6a,8,9,10,10b-decahydro-1H-benzo[f]chromene (PubChem CID 616844) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 7,7,10a-trimethyl-2,3,4a,5,6,6a,8,9,10,10b-decahydro-1H-benzo[f]chromene.

Molecular Properties

Compound Name7,7,10a-trimethyl-2,3,4a,5,6,6a,8,9,10,10b-decahydro-1H-benzo[f]chromene
PubChem CID616844
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name7,7,10a-trimethyl-2,3,4a,5,6,6a,8,9,10,10b-decahydro-1H-benzo[f]chromene
SMILESCC1(C)CCCC2(C)C3CCCOC3CCC12
InChIInChI=1S/C16H28O/c1-15(2)9-5-10-16(3)12-6-4-11-17-13(12)7-8-14(15)16/h12-14H,4-11H2,1-3H3
InChIKeyGNLIBEOMUZAOMG-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,7,10a-trimethyl-2,3,4a,5,6,6a,8,9,10,10b-decahydro-1H-benzo[f]chromene?
The IUPAC name of 7,7,10a-trimethyl-2,3,4a,5,6,6a,8,9,10,10b-decahydro-1H-benzo[f]chromene (CID 616844) is 7,7,10a-trimethyl-2,3,4a,5,6,6a,8,9,10,10b-decahydro-1H-benzo[f]chromene.
What is the SMILES notation for 7,7,10a-trimethyl-2,3,4a,5,6,6a,8,9,10,10b-decahydro-1H-benzo[f]chromene?
The canonical SMILES for 7,7,10a-trimethyl-2,3,4a,5,6,6a,8,9,10,10b-decahydro-1H-benzo[f]chromene is CC1(C)CCCC2(C)C3CCCOC3CCC12.
What is the InChIKey of 7,7,10a-trimethyl-2,3,4a,5,6,6a,8,9,10,10b-decahydro-1H-benzo[f]chromene?
The InChIKey is GNLIBEOMUZAOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-15(2)9-5-10-16(3)12-6-4-11-17-13(12)7-8-14(15)16/h12-14H,4-11H2,1-3H3.
What are the key properties of 7,7,10a-trimethyl-2,3,4a,5,6,6a,8,9,10,10b-decahydro-1H-benzo[f]chromene?
7,7,10a-trimethyl-2,3,4a,5,6,6a,8,9,10,10b-decahydro-1H-benzo[f]chromene has a molecular weight of 236.40 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,10a-trimethyl-2,3,4a,5,6,6a,8,9,10,10b-decahydro-1H-benzo[f]chromene is sourced from PubChem (CID 616844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).