17-[(2R)-5,6-dimethylheptan-2-yl]-17-methyl-15,16-dihydrocyclopenta[a]phenanthrene

C27H34 — CID 101102026

IUPAC17-[(2R)-5,6-dimethylheptan-2-yl]-17-methyl-15,16-dihydrocyclopenta[a]phenanthrene
SMILESCC(C)C(C)CC[C@@H](C)C1(C)CCc2c1ccc1c2ccc2ccccc21
InChIInChI=1S/C27H34/c1-18(2)19(3)10-11-20(4)27(5)17-16-25-24-13-12-21-8-6-7-9-22(21)23(24)14-15-26(25)27/h6-9,12-15,18-20H,10-11,16-17H2,1-5H3/t19?,20-,27?/m1/s1
InChIKeyWWZKKWGSVQRSNC-AWGUXVRGSA-N
MW358.57 g/mol
LogP7.91
Rot. Bonds5

About 17-[(2R)-5,6-dimethylheptan-2-yl]-17-methyl-15,16-dihydrocyclopenta[a]phenanthrene

17-[(2R)-5,6-dimethylheptan-2-yl]-17-methyl-15,16-dihydrocyclopenta[a]phenanthrene (PubChem CID 101102026) has the molecular formula C27H34 and a molecular weight of 358.57 g/mol. Its IUPAC name is 17-[(2R)-5,6-dimethylheptan-2-yl]-17-methyl-15,16-dihydrocyclopenta[a]phenanthrene.

Molecular Properties

Compound Name17-[(2R)-5,6-dimethylheptan-2-yl]-17-methyl-15,16-dihydrocyclopenta[a]phenanthrene
PubChem CID101102026
Molecular FormulaC27H34
Molecular Weight358.57 g/mol
Exact Mass358.27
IUPAC Name17-[(2R)-5,6-dimethylheptan-2-yl]-17-methyl-15,16-dihydrocyclopenta[a]phenanthrene
SMILESCC(C)C(C)CC[C@@H](C)C1(C)CCc2c1ccc1c2ccc2ccccc21
InChIInChI=1S/C27H34/c1-18(2)19(3)10-11-20(4)27(5)17-16-25-24-13-12-21-8-6-7-9-22(21)23(24)14-15-26(25)27/h6-9,12-15,18-20H,10-11,16-17H2,1-5H3/t19?,20-,27?/m1/s1
InChIKeyWWZKKWGSVQRSNC-AWGUXVRGSA-N
XLogP7.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 174256276
1-methyl-3,4-dihydro-2H-chrysen-1-ol
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3,3-dimethyl-2,4-dihydro-1H-chrysene
CID 174587374
2,2-dimethyl-3,4-dihydro-1H-picene
CID 14298822
3,4-dihydro-2H-chrysene-1,1-diamine
CID 174437347
CID 174877287
CID 174877287
1,1,2,2-tetrabutyl-3,4-dihydrochrysene
CID 174605606
methane;1,2,3,4-tetrahydrochrysene
CID 174298676
benzene;1,2,3,4-tetrahydrochrysene
CID 174248896
palladium;1,2,3,4-tetrahydrochrysene
CID 174462913
benzene;methane;1,2,3,4-tetrahydrochrysene
CID 174815578
CID 174884926
CID 174884926

Frequently Asked Questions

What is the IUPAC name of 17-[(2R)-5,6-dimethylheptan-2-yl]-17-methyl-15,16-dihydrocyclopenta[a]phenanthrene?
The IUPAC name of 17-[(2R)-5,6-dimethylheptan-2-yl]-17-methyl-15,16-dihydrocyclopenta[a]phenanthrene (CID 101102026) is 17-[(2R)-5,6-dimethylheptan-2-yl]-17-methyl-15,16-dihydrocyclopenta[a]phenanthrene.
What is the SMILES notation for 17-[(2R)-5,6-dimethylheptan-2-yl]-17-methyl-15,16-dihydrocyclopenta[a]phenanthrene?
The canonical SMILES for 17-[(2R)-5,6-dimethylheptan-2-yl]-17-methyl-15,16-dihydrocyclopenta[a]phenanthrene is CC(C)C(C)CC[C@@H](C)C1(C)CCc2c1ccc1c2ccc2ccccc21.
What is the InChIKey of 17-[(2R)-5,6-dimethylheptan-2-yl]-17-methyl-15,16-dihydrocyclopenta[a]phenanthrene?
The InChIKey is WWZKKWGSVQRSNC-AWGUXVRGSA-N. The full InChI is InChI=1S/C27H34/c1-18(2)19(3)10-11-20(4)27(5)17-16-25-24-13-12-21-8-6-7-9-22(21)23(24)14-15-26(25)27/h6-9,12-15,18-20H,10-11,16-17H2,1-5H3/t19?,20-,27?/m1/s1.
What are the key properties of 17-[(2R)-5,6-dimethylheptan-2-yl]-17-methyl-15,16-dihydrocyclopenta[a]phenanthrene?
17-[(2R)-5,6-dimethylheptan-2-yl]-17-methyl-15,16-dihydrocyclopenta[a]phenanthrene has a molecular weight of 358.57 g/mol, XLogP of 7.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 17-[(2R)-5,6-dimethylheptan-2-yl]-17-methyl-15,16-dihydrocyclopenta[a]phenanthrene is sourced from PubChem (CID 101102026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).