ethane;17-methyl-8-methylidene-2-[(E)-1-(2-methylpropylideneamino)prop-1-en-2-yl]-6-[(Z)-prop-1-enyl]tetracyclo[14.3.1.13,7.19,13]docosa-1(20),3(22),4,6,9,11,13(21),16,18-nonaen-2-ol

C36H43NO — CID 168915013

IUPACethane;17-methyl-8-methylidene-2-[(E)-1-(2-methylpropylideneamino)prop-1-en-2-yl]-6-[(Z)-prop-1-enyl]tetracyclo[14.3.1.13,7.19,13]docosa-1(20),3(22),4,6,9,11,13(21),16,18-nonaen-2-ol
SMILESC=C1c2cccc(c2)CCc2cc(ccc2C)C(O)(/C(C)=C/N=C/C(C)C)c2ccc(/C=C\C)c1c2.CC
InChIInChI=1S/C34H37NO.C2H6/c1-7-9-28-15-17-32-20-33(28)26(6)30-11-8-10-27(18-30)13-14-29-19-31(16-12-24(29)4)34(32,36)25(5)22-35-21-23(2)3;1-2/h7-12,15-23,36H,6,13-14H2,1-5H3;1-2H3/b9-7-,25-22+,35-21+;
InChIKeyFDODSIYKLXNYLJ-IRDVGBJHSA-N
MW505.75 g/mol
LogP9.08
Rot. Bonds4

About ethane;17-methyl-8-methylidene-2-[(E)-1-(2-methylpropylideneamino)prop-1-en-2-yl]-6-[(Z)-prop-1-enyl]tetracyclo[14.3.1.13,7.19,13]docosa-1(20),3(22),4,6,9,11,13(21),16,18-nonaen-2-ol

ethane;17-methyl-8-methylidene-2-[(E)-1-(2-methylpropylideneamino)prop-1-en-2-yl]-6-[(Z)-prop-1-enyl]tetracyclo[14.3.1.13,7.19,13]docosa-1(20),3(22),4,6,9,11,13(21),16,18-nonaen-2-ol (PubChem CID 168915013) has the molecular formula C36H43NO and a molecular weight of 505.75 g/mol. Its IUPAC name is ethane;17-methyl-8-methylidene-2-[(E)-1-(2-methylpropylideneamino)prop-1-en-2-yl]-6-[(Z)-prop-1-enyl]tetracyclo[14.3.1.13,7.19,13]docosa-1(20),3(22),4,6,9,11,13(21),16,18-nonaen-2-ol.

Molecular Properties

Compound Nameethane;17-methyl-8-methylidene-2-[(E)-1-(2-methylpropylideneamino)prop-1-en-2-yl]-6-[(Z)-prop-1-enyl]tetracyclo[14.3.1.13,7.19,13]docosa-1(20),3(22),4,6,9,11,13(21),16,18-nonaen-2-ol
PubChem CID168915013
Molecular FormulaC36H43NO
Molecular Weight505.75 g/mol
Exact Mass505.33
IUPAC Nameethane;17-methyl-8-methylidene-2-[(E)-1-(2-methylpropylideneamino)prop-1-en-2-yl]-6-[(Z)-prop-1-enyl]tetracyclo[14.3.1.13,7.19,13]docosa-1(20),3(22),4,6,9,11,13(21),16,18-nonaen-2-ol
SMILESC=C1c2cccc(c2)CCc2cc(ccc2C)C(O)(/C(C)=C/N=C/C(C)C)c2ccc(/C=C\C)c1c2.CC
InChIInChI=1S/C34H37NO.C2H6/c1-7-9-28-15-17-32-20-33(28)26(6)30-11-8-10-27(18-30)13-14-29-19-31(16-12-24(29)4)34(32,36)25(5)22-35-21-23(2)3;1-2/h7-12,15-23,36H,6,13-14H2,1-5H3;1-2H3/b9-7-,25-22+,35-21+;
InChIKeyFDODSIYKLXNYLJ-IRDVGBJHSA-N
XLogP9.08
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.75
LogP ≤ 59.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethane;17-methyl-8-methylidene-2-[(E)-1-(2-methylpropylideneamino)prop-1-en-2-yl]-6-[(Z)-prop-1-enyl]tetracyclo[14.3.1.13,7.19,13]docosa-1(20),3(22),4,6,9,11,13(21),16,18-nonaen-2-ol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;17-methyl-8-methylidene-2-[(E)-1-(2-methylpropylideneamino)prop-1-en-2-yl]-6-[(Z)-prop-1-enyl]tetracyclo[14.3.1.13,7.19,13]docosa-1(20),3(22),4,6,9,11,13(21),16,18-nonaen-2-ol?
The IUPAC name of ethane;17-methyl-8-methylidene-2-[(E)-1-(2-methylpropylideneamino)prop-1-en-2-yl]-6-[(Z)-prop-1-enyl]tetracyclo[14.3.1.13,7.19,13]docosa-1(20),3(22),4,6,9,11,13(21),16,18-nonaen-2-ol (CID 168915013) is ethane;17-methyl-8-methylidene-2-[(E)-1-(2-methylpropylideneamino)prop-1-en-2-yl]-6-[(Z)-prop-1-enyl]tetracyclo[14.3.1.13,7.19,13]docosa-1(20),3(22),4,6,9,11,13(21),16,18-nonaen-2-ol.
What is the SMILES notation for ethane;17-methyl-8-methylidene-2-[(E)-1-(2-methylpropylideneamino)prop-1-en-2-yl]-6-[(Z)-prop-1-enyl]tetracyclo[14.3.1.13,7.19,13]docosa-1(20),3(22),4,6,9,11,13(21),16,18-nonaen-2-ol?
The canonical SMILES for ethane;17-methyl-8-methylidene-2-[(E)-1-(2-methylpropylideneamino)prop-1-en-2-yl]-6-[(Z)-prop-1-enyl]tetracyclo[14.3.1.13,7.19,13]docosa-1(20),3(22),4,6,9,11,13(21),16,18-nonaen-2-ol is C=C1c2cccc(c2)CCc2cc(ccc2C)C(O)(/C(C)=C/N=C/C(C)C)c2ccc(/C=C\C)c1c2.CC.
What is the InChIKey of ethane;17-methyl-8-methylidene-2-[(E)-1-(2-methylpropylideneamino)prop-1-en-2-yl]-6-[(Z)-prop-1-enyl]tetracyclo[14.3.1.13,7.19,13]docosa-1(20),3(22),4,6,9,11,13(21),16,18-nonaen-2-ol?
The InChIKey is FDODSIYKLXNYLJ-IRDVGBJHSA-N. The full InChI is InChI=1S/C34H37NO.C2H6/c1-7-9-28-15-17-32-20-33(28)26(6)30-11-8-10-27(18-30)13-14-29-19-31(16-12-24(29)4)34(32,36)25(5)22-35-21-23(2)3;1-2/h7-12,15-23,36H,6,13-14H2,1-5H3;1-2H3/b9-7-,25-22+,35-21+;.
What are the key properties of ethane;17-methyl-8-methylidene-2-[(E)-1-(2-methylpropylideneamino)prop-1-en-2-yl]-6-[(Z)-prop-1-enyl]tetracyclo[14.3.1.13,7.19,13]docosa-1(20),3(22),4,6,9,11,13(21),16,18-nonaen-2-ol?
ethane;17-methyl-8-methylidene-2-[(E)-1-(2-methylpropylideneamino)prop-1-en-2-yl]-6-[(Z)-prop-1-enyl]tetracyclo[14.3.1.13,7.19,13]docosa-1(20),3(22),4,6,9,11,13(21),16,18-nonaen-2-ol has a molecular weight of 505.75 g/mol, XLogP of 9.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;17-methyl-8-methylidene-2-[(E)-1-(2-methylpropylideneamino)prop-1-en-2-yl]-6-[(Z)-prop-1-enyl]tetracyclo[14.3.1.13,7.19,13]docosa-1(20),3(22),4,6,9,11,13(21),16,18-nonaen-2-ol is sourced from PubChem (CID 168915013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).