1,1,2-trimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol

C20H34O — CID 150522177

IUPAC1,1,2-trimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol
SMILESCC1C(O)CC2CCC3C4CCCC4CCC3C2C1(C)C
InChIInChI=1S/C20H34O/c1-12-18(21)11-14-8-9-16-15-6-4-5-13(15)7-10-17(16)19(14)20(12,2)3/h12-19,21H,4-11H2,1-3H3
InChIKeyICBSOOUSYKALPH-UHFFFAOYSA-N
MW290.49 g/mol
LogP4.88
Rot. Bonds

About 1,1,2-trimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol

1,1,2-trimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol (PubChem CID 150522177) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 1,1,2-trimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol.

Molecular Properties

Compound Name1,1,2-trimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol
PubChem CID150522177
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name1,1,2-trimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol
SMILESCC1C(O)CC2CCC3C4CCCC4CCC3C2C1(C)C
InChIInChI=1S/C20H34O/c1-12-18(21)11-14-8-9-16-15-6-4-5-13(15)7-10-17(16)19(14)20(12,2)3/h12-19,21H,4-11H2,1-3H3
InChIKeyICBSOOUSYKALPH-UHFFFAOYSA-N
XLogP4.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol?
The IUPAC name of 1,1,2-trimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol (CID 150522177) is 1,1,2-trimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol.
What is the SMILES notation for 1,1,2-trimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol?
The canonical SMILES for 1,1,2-trimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol is CC1C(O)CC2CCC3C4CCCC4CCC3C2C1(C)C.
What is the InChIKey of 1,1,2-trimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol?
The InChIKey is ICBSOOUSYKALPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-12-18(21)11-14-8-9-16-15-6-4-5-13(15)7-10-17(16)19(14)20(12,2)3/h12-19,21H,4-11H2,1-3H3.
What are the key properties of 1,1,2-trimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol?
1,1,2-trimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol has a molecular weight of 290.49 g/mol, XLogP of 4.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol is sourced from PubChem (CID 150522177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).