[(4R,8R)-8-methyl-6-methylidene-9-phenylmethoxynonan-4-yl] acetate

C20H30O3 — CID 53344420

IUPAC[(4R,8R)-8-methyl-6-methylidene-9-phenylmethoxynonan-4-yl] acetate
SMILESC=C(C[C@@H](C)COCc1ccccc1)C[C@@H](CCC)OC(C)=O
InChIInChI=1S/C20H30O3/c1-5-9-20(23-18(4)21)13-16(2)12-17(3)14-22-15-19-10-7-6-8-11-19/h6-8,10-11,17,20H,2,5,9,12-15H2,1,3-4H3/t17-,20-/m1/s1
InChIKeyICMYWFCFCCCSFM-YLJYHZDGSA-N
MW318.46 g/mol
LogP4.91
Rot. Bonds11

About [(4R,8R)-8-methyl-6-methylidene-9-phenylmethoxynonan-4-yl] acetate

[(4R,8R)-8-methyl-6-methylidene-9-phenylmethoxynonan-4-yl] acetate (PubChem CID 53344420) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is [(4R,8R)-8-methyl-6-methylidene-9-phenylmethoxynonan-4-yl] acetate.

Molecular Properties

Compound Name[(4R,8R)-8-methyl-6-methylidene-9-phenylmethoxynonan-4-yl] acetate
PubChem CID53344420
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name[(4R,8R)-8-methyl-6-methylidene-9-phenylmethoxynonan-4-yl] acetate
SMILESC=C(C[C@@H](C)COCc1ccccc1)C[C@@H](CCC)OC(C)=O
InChIInChI=1S/C20H30O3/c1-5-9-20(23-18(4)21)13-16(2)12-17(3)14-22-15-19-10-7-6-8-11-19/h6-8,10-11,17,20H,2,5,9,12-15H2,1,3-4H3/t17-,20-/m1/s1
InChIKeyICMYWFCFCCCSFM-YLJYHZDGSA-N
XLogP4.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(4R,8R)-8-methyl-6-methylidene-9-phenylmethoxynonan-4-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-dimethyl-[(4R,8R)-8-methyl-6-methylidene-9-(phenylmethoxymethoxy)nonan-4-yl]oxysilane
CID 11531865
[(2R)-1-bromo-3-phenylmethoxypropan-2-yl] acetate
CID 118705262
2-amino-N-(2-methyl-3-phenylmethoxypropyl)pentanamide;hydrochloride
CID 119304384
3-(phenylmethoxymethyl)hexanoic acid
CID 174921830
[(2R)-1-cyano-3-phenylmethoxypropan-2-yl] acetate
CID 15965802
[(2R,3S,4S)-4-acetyloxy-3,5-dimethyl-1-phenylmethoxyhex-5-en-2-yl] acetate
CID 102437861
[(2R)-4-chlorosulfonyl-1-phenylmethoxybutan-2-yl] acetate
CID 124566755
[(2R)-2-methylheptoxy]methylbenzene
CID 126666980
[(2S,5S)-2,5-dimethyl-4-oxo-6-phenylmethoxyhexyl] acetate
CID 10039995
[(2R,3R)-2-azido-1-phenylmethoxyhexan-3-yl] acetate
CID 10108329
(2S)-5-methyl-2-(methylamino)-6-phenylmethoxyhexan-3-one
CID 165471121
5-methyl-2-(methylamino)-6-phenylmethoxyhexan-3-one
CID 165471083

Frequently Asked Questions

What is the IUPAC name of [(4R,8R)-8-methyl-6-methylidene-9-phenylmethoxynonan-4-yl] acetate?
The IUPAC name of [(4R,8R)-8-methyl-6-methylidene-9-phenylmethoxynonan-4-yl] acetate (CID 53344420) is [(4R,8R)-8-methyl-6-methylidene-9-phenylmethoxynonan-4-yl] acetate.
What is the SMILES notation for [(4R,8R)-8-methyl-6-methylidene-9-phenylmethoxynonan-4-yl] acetate?
The canonical SMILES for [(4R,8R)-8-methyl-6-methylidene-9-phenylmethoxynonan-4-yl] acetate is C=C(C[C@@H](C)COCc1ccccc1)C[C@@H](CCC)OC(C)=O.
What is the InChIKey of [(4R,8R)-8-methyl-6-methylidene-9-phenylmethoxynonan-4-yl] acetate?
The InChIKey is ICMYWFCFCCCSFM-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H30O3/c1-5-9-20(23-18(4)21)13-16(2)12-17(3)14-22-15-19-10-7-6-8-11-19/h6-8,10-11,17,20H,2,5,9,12-15H2,1,3-4H3/t17-,20-/m1/s1.
What are the key properties of [(4R,8R)-8-methyl-6-methylidene-9-phenylmethoxynonan-4-yl] acetate?
[(4R,8R)-8-methyl-6-methylidene-9-phenylmethoxynonan-4-yl] acetate has a molecular weight of 318.46 g/mol, XLogP of 4.91, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,8R)-8-methyl-6-methylidene-9-phenylmethoxynonan-4-yl] acetate is sourced from PubChem (CID 53344420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).