15-methylhexacyclo[7.7.3.11,8.12,7.110,16.03,5]docos-4-ene

C23H34 — CID 163464977

IUPAC15-methylhexacyclo[7.7.3.11,8.12,7.110,16.03,5]docos-4-ene
SMILESCC1CCCCC2CC1C13CCCC2C(C1)C1CC2=CC2C3C1
InChIInChI=1S/C23H34/c1-14-5-2-3-6-15-11-21(14)23-8-4-7-18(15)20(13-23)17-9-16-10-19(16)22(23)12-17/h10,14-15,17-22H,2-9,11-13H2,1H3
InChIKeyBRTZLODFRYBVBM-UHFFFAOYSA-N
MW310.53 g/mol
LogP6.22
Rot. Bonds

About 15-methylhexacyclo[7.7.3.11,8.12,7.110,16.03,5]docos-4-ene

15-methylhexacyclo[7.7.3.11,8.12,7.110,16.03,5]docos-4-ene (PubChem CID 163464977) has the molecular formula C23H34 and a molecular weight of 310.53 g/mol. Its IUPAC name is 15-methylhexacyclo[7.7.3.11,8.12,7.110,16.03,5]docos-4-ene.

Molecular Properties

Compound Name15-methylhexacyclo[7.7.3.11,8.12,7.110,16.03,5]docos-4-ene
PubChem CID163464977
Molecular FormulaC23H34
Molecular Weight310.53 g/mol
Exact Mass310.27
IUPAC Name15-methylhexacyclo[7.7.3.11,8.12,7.110,16.03,5]docos-4-ene
SMILESCC1CCCCC2CC1C13CCCC2C(C1)C1CC2=CC2C3C1
InChIInChI=1S/C23H34/c1-14-5-2-3-6-15-11-21(14)23-8-4-7-18(15)20(13-23)17-9-16-10-19(16)22(23)12-17/h10,14-15,17-22H,2-9,11-13H2,1H3
InChIKeyBRTZLODFRYBVBM-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.53
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
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(3R)-3,4-dimethylbicyclo[3.1.0]hex-1(6)-ene
CID 163653956
5b,8,11a-trimethyl-2,3,3a,4,5,5a,6,7,7a,8,9,10,11,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene
CID 144917568
1,3-dimethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene
CID 164599475
spiro[oxolane-2,16'-tetracyclo[7.5.2.02,7.010,14]hexadecane]
CID 69253002
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CID 6427449
(6R)-2-methylbicyclo[4.1.0]heptane
CID 143188107
(2S)-1-cyclopentyl-2-methylcyclopentane
CID 140885757
1-cyclobutyl-2-methylcyclohexane
CID 146763407
4-methyl-1,2,2a,3,4,4a,5,6,7,8,8a,8b-dodecahydrocyclobuta[a]naphthalene
CID 163896110
(1S,2S,3aR,7aR)-1,2-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;cyclohexane
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Frequently Asked Questions

What is the IUPAC name of 15-methylhexacyclo[7.7.3.11,8.12,7.110,16.03,5]docos-4-ene?
The IUPAC name of 15-methylhexacyclo[7.7.3.11,8.12,7.110,16.03,5]docos-4-ene (CID 163464977) is 15-methylhexacyclo[7.7.3.11,8.12,7.110,16.03,5]docos-4-ene.
What is the SMILES notation for 15-methylhexacyclo[7.7.3.11,8.12,7.110,16.03,5]docos-4-ene?
The canonical SMILES for 15-methylhexacyclo[7.7.3.11,8.12,7.110,16.03,5]docos-4-ene is CC1CCCCC2CC1C13CCCC2C(C1)C1CC2=CC2C3C1.
What is the InChIKey of 15-methylhexacyclo[7.7.3.11,8.12,7.110,16.03,5]docos-4-ene?
The InChIKey is BRTZLODFRYBVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34/c1-14-5-2-3-6-15-11-21(14)23-8-4-7-18(15)20(13-23)17-9-16-10-19(16)22(23)12-17/h10,14-15,17-22H,2-9,11-13H2,1H3.
What are the key properties of 15-methylhexacyclo[7.7.3.11,8.12,7.110,16.03,5]docos-4-ene?
15-methylhexacyclo[7.7.3.11,8.12,7.110,16.03,5]docos-4-ene has a molecular weight of 310.53 g/mol, XLogP of 6.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methylhexacyclo[7.7.3.11,8.12,7.110,16.03,5]docos-4-ene is sourced from PubChem (CID 163464977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).