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

C18H32 — CID 123566635

IUPAC1,2,7,8-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SMILESCC1CCC2C(CCC3C(C)C(C)CCC32)C1C
InChIInChI=1S/C18H32/c1-11-5-7-17-15(13(11)3)9-10-16-14(4)12(2)6-8-18(16)17/h11-18H,5-10H2,1-4H3
InChIKeyNTGHIVSAIAMKPP-UHFFFAOYSA-N
MW248.45 g/mol
LogP5.38
Rot. Bonds

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

1,2,7,8-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene (PubChem CID 123566635) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 1,2,7,8-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene.

Molecular Properties

Compound Name1,2,7,8-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
PubChem CID123566635
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name1,2,7,8-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SMILESCC1CCC2C(CCC3C(C)C(C)CCC32)C1C
InChIInChI=1S/C18H32/c1-11-5-7-17-15(13(11)3)9-10-16-14(4)12(2)6-8-18(16)17/h11-18H,5-10H2,1-4H3
InChIKeyNTGHIVSAIAMKPP-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

1,2-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 143144045
cis-(1S,3R)-1,2,3-trimethylcyclopentane
CID 6427077
azane;5-methylbicyclo[2.1.0]pentane
CID 68525999
2-(2,3-dimethylcyclohexyl)-1,3-dimethyl-4-(2-methylcyclohexyl)cyclohexane
CID 123855640
1,2-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 565551
1,2,3,4,7-pentamethylcyclononane
CID 123773414
(3aR,7aS)-2,4,5-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 91357459
(3R)-2,3-dimethylbicyclo[3.2.0]heptane
CID 154561320
ethane;1,2,3,6-tetramethylcyclooctane
CID 178085066
[2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]cyclopropanecarbonyl]-methylazanide;ethane;ethane;yttrium
CID 159130762
cis-(1S,2R)-1-fluoro-2,3-dimethylcyclopentane
CID 126671051
2,6-dimethylbicyclo[3.2.0]heptane
CID 91170917

Frequently Asked Questions

What is the IUPAC name of 1,2,7,8-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene?
The IUPAC name of 1,2,7,8-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene (CID 123566635) is 1,2,7,8-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene.
What is the SMILES notation for 1,2,7,8-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene?
The canonical SMILES for 1,2,7,8-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene is CC1CCC2C(CCC3C(C)C(C)CCC32)C1C.
What is the InChIKey of 1,2,7,8-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene?
The InChIKey is NTGHIVSAIAMKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-11-5-7-17-15(13(11)3)9-10-16-14(4)12(2)6-8-18(16)17/h11-18H,5-10H2,1-4H3.
What are the key properties of 1,2,7,8-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene?
1,2,7,8-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 1,2,7,8-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene is sourced from PubChem (CID 123566635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).