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

C18H40 — CID 159429380

IUPAC1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane
SMILESC.C.C.C.C1CCC2C(C1)CCC1CCCCC12
InChIInChI=1S/C14H24.4CH4/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;;;;/h11-14H,1-10H2;4*1H4
InChIKeyLQUDUEMOZOJHCA-UHFFFAOYSA-N
MW256.52 g/mol
LogP6.94
Rot. Bonds

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

1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane (PubChem CID 159429380) has the molecular formula C18H40 and a molecular weight of 256.52 g/mol. Its IUPAC name is 1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane.

Molecular Properties

Compound Name1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane
PubChem CID159429380
Molecular FormulaC18H40
Molecular Weight256.52 g/mol
Exact Mass256.31
IUPAC Name1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane
SMILESC.C.C.C.C1CCC2C(C1)CCC1CCCCC12
InChIInChI=1S/C14H24.4CH4/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;;;;/h11-14H,1-10H2;4*1H4
InChIKeyLQUDUEMOZOJHCA-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.52
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane with MolForge

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Related Compounds

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CID 54374966
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996
(8S,9R,13S)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 145133460
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 21972
1,2-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 143144045
1,2-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 565551
tetracyclo[9.7.0.03,8.012,16]octadecane
CID 140868120
3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 140574034
2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-2-ide
CID 59979364
2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-ol
CID 143022557
(1R,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59207141
(3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 134864690

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane?
The IUPAC name of 1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane (CID 159429380) is 1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane.
What is the SMILES notation for 1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane?
The canonical SMILES for 1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane is C.C.C.C.C1CCC2C(C1)CCC1CCCCC12.
What is the InChIKey of 1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane?
The InChIKey is LQUDUEMOZOJHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24.4CH4/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;;;;/h11-14H,1-10H2;4*1H4.
What are the key properties of 1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane?
1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane has a molecular weight of 256.52 g/mol, XLogP of 6.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane is sourced from PubChem (CID 159429380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).