2,7,9,10-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene

C18H32 — CID 90983654

IUPAC2,7,9,10-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SMILESCC1CCC2C(C1)C(C)C(C)C1CC(C)CCC12
InChIInChI=1S/C18H32/c1-11-5-7-15-16-8-6-12(2)10-18(16)14(4)13(3)17(15)9-11/h11-18H,5-10H2,1-4H3
InChIKeyBBTUNQIRVUSIBC-UHFFFAOYSA-N
MW248.45 g/mol
LogP5.38
Rot. Bonds

About 2,7,9,10-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene

2,7,9,10-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene (PubChem CID 90983654) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 2,7,9,10-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene.

Molecular Properties

Compound Name2,7,9,10-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
PubChem CID90983654
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name2,7,9,10-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SMILESCC1CCC2C(C1)C(C)C(C)C1CC(C)CCC12
InChIInChI=1S/C18H32/c1-11-5-7-15-16-8-6-12(2)10-18(16)14(4)13(3)17(15)9-11/h11-18H,5-10H2,1-4H3
InChIKeyBBTUNQIRVUSIBC-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,4-dimethyl-2-[5-methyl-2-(4-methylcyclohexyl)cyclohexyl]cyclohexane
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3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 20683773
tris(1,4-dimethylcyclohexane);methane;yttrium
CID 165073168
ethane;3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 143732334
3-methylcyclopentan-1-ol;yttrium
CID 178142170
ethane;methylcyclopropane
CID 158329065
3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 140574034

Frequently Asked Questions

What is the IUPAC name of 2,7,9,10-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene?
The IUPAC name of 2,7,9,10-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene (CID 90983654) is 2,7,9,10-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene.
What is the SMILES notation for 2,7,9,10-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene?
The canonical SMILES for 2,7,9,10-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene is CC1CCC2C(C1)C(C)C(C)C1CC(C)CCC12.
What is the InChIKey of 2,7,9,10-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene?
The InChIKey is BBTUNQIRVUSIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-11-5-7-15-16-8-6-12(2)10-18(16)14(4)13(3)17(15)9-11/h11-18H,5-10H2,1-4H3.
What are the key properties of 2,7,9,10-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene?
2,7,9,10-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene has a molecular weight of 248.45 g/mol, XLogP of 5.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,9,10-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene is sourced from PubChem (CID 90983654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).