ethane;3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene

C20H36 — CID 143732334

IUPACethane;3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
SMILESCC.CC1CCC2C(CCC3C4CCCC4CCC23)C1
InChIInChI=1S/C18H30.C2H6/c1-12-5-8-16-14(11-12)7-10-17-15-4-2-3-13(15)6-9-18(16)17;1-2/h12-18H,2-11H2,1H3;1-2H3
InChIKeyANWRARHUGPPZFP-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.30
Rot. Bonds

About ethane;3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene

ethane;3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene (PubChem CID 143732334) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is ethane;3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene.

Molecular Properties

Compound Nameethane;3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
PubChem CID143732334
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Nameethane;3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
SMILESCC.CC1CCC2C(CCC3C4CCCC4CCC23)C1
InChIInChI=1S/C18H30.C2H6/c1-12-5-8-16-14(11-12)7-10-17-15-4-2-3-13(15)6-9-18(16)17;1-2/h12-18H,2-11H2,1H3;1-2H3
InChIKeyANWRARHUGPPZFP-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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
(2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 97102805
2-methyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 71773994
ethane;tricyclo[4.4.0.02,8]decane
CID 91556011
3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 140574034
(1S,4aR,6R,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751812
4-cyclopentyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 172615234
(1S,4aS,6S,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751793
cyclopropane;1,2-di(cyclobutyl)cyclobutane;ethane;bis(methylcyclohexane);1-methyl-4-(4-methylcyclohexyl)cyclohexane
CID 159024570
tricyclo[4.4.0.02,8]decane
CID 585864
(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
ethene;(7-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-yl)methanol
CID 155589363

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene?
The IUPAC name of 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) is ethane;3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene.
What is the SMILES notation for ethane;3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene?
The canonical SMILES for ethane;3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene is CC.CC1CCC2C(CCC3C4CCCC4CCC23)C1.
What is the InChIKey of ethane;3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene?
The InChIKey is ANWRARHUGPPZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30.C2H6/c1-12-5-8-16-14(11-12)7-10-17-15-4-2-3-13(15)6-9-18(16)17;1-2/h12-18H,2-11H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene?
ethane;3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene has a molecular weight of 276.51 g/mol, XLogP of 6.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene is sourced from PubChem (CID 143732334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).