1,1-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-2H-phenanthren-2-ol

C16H28O — CID 118905117

IUPAC1,1-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-2H-phenanthren-2-ol
SMILESCC1(C)C(O)CCC2C3CCCCC3CCC21
InChIInChI=1S/C16H28O/c1-16(2)14-9-7-11-5-3-4-6-12(11)13(14)8-10-15(16)17/h11-15,17H,3-10H2,1-2H3
InChIKeySLYSPVOVIYVYLR-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.00
Rot. Bonds

About 1,1-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-2H-phenanthren-2-ol

1,1-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-2H-phenanthren-2-ol (PubChem CID 118905117) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 1,1-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-2H-phenanthren-2-ol.

Molecular Properties

Compound Name1,1-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-2H-phenanthren-2-ol
PubChem CID118905117
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name1,1-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-2H-phenanthren-2-ol
SMILESCC1(C)C(O)CCC2C3CCCCC3CCC21
InChIInChI=1S/C16H28O/c1-16(2)14-9-7-11-5-3-4-6-12(11)13(14)8-10-15(16)17/h11-15,17H,3-10H2,1-2H3
InChIKeySLYSPVOVIYVYLR-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-2H-phenanthren-2-ol?
The IUPAC name of 1,1-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-2H-phenanthren-2-ol (CID 118905117) is 1,1-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-2H-phenanthren-2-ol.
What is the SMILES notation for 1,1-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-2H-phenanthren-2-ol?
The canonical SMILES for 1,1-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-2H-phenanthren-2-ol is CC1(C)C(O)CCC2C3CCCCC3CCC21.
What is the InChIKey of 1,1-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-2H-phenanthren-2-ol?
The InChIKey is SLYSPVOVIYVYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-16(2)14-9-7-11-5-3-4-6-12(11)13(14)8-10-15(16)17/h11-15,17H,3-10H2,1-2H3.
What are the key properties of 1,1-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-2H-phenanthren-2-ol?
1,1-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-2H-phenanthren-2-ol has a molecular weight of 236.40 g/mol, XLogP of 4.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-2H-phenanthren-2-ol is sourced from PubChem (CID 118905117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).