(4R,5R)-4-methyl-4,5-bis(prop-2-enoxy)nona-1,8-diene

C16H26O2 — CID 10562662

IUPAC(4R,5R)-4-methyl-4,5-bis(prop-2-enoxy)nona-1,8-diene
SMILESC=CCC[C@@H](OCC=C)[C@@](C)(CC=C)OCC=C
InChIInChI=1S/C16H26O2/c1-6-10-11-15(17-13-8-3)16(5,12-7-2)18-14-9-4/h6-9,15H,1-4,10-14H2,5H3/t15-,16-/m1/s1
InChIKeyBZZNRMSVLSIISI-HZPDHXFCSA-N
MW250.38 g/mol
LogP4.06
Rot. Bonds12

About (4R,5R)-4-methyl-4,5-bis(prop-2-enoxy)nona-1,8-diene

(4R,5R)-4-methyl-4,5-bis(prop-2-enoxy)nona-1,8-diene (PubChem CID 10562662) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (4R,5R)-4-methyl-4,5-bis(prop-2-enoxy)nona-1,8-diene.

Molecular Properties

Compound Name(4R,5R)-4-methyl-4,5-bis(prop-2-enoxy)nona-1,8-diene
PubChem CID10562662
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(4R,5R)-4-methyl-4,5-bis(prop-2-enoxy)nona-1,8-diene
SMILESC=CCC[C@@H](OCC=C)[C@@](C)(CC=C)OCC=C
InChIInChI=1S/C16H26O2/c1-6-10-11-15(17-13-8-3)16(5,12-7-2)18-14-9-4/h6-9,15H,1-4,10-14H2,5H3/t15-,16-/m1/s1
InChIKeyBZZNRMSVLSIISI-HZPDHXFCSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R,5R)-4-methyl-4,5-bis(prop-2-enoxy)nona-1,8-diene 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

(4S,5R)-4-methyl-4-prop-2-enoxynona-1,8-dien-5-ol
CID 101079962
5,8-bis(prop-2-enoxy)dodeca-1,11-diene
CID 10826482
bis(3,3-dimethyloct-7-en-1-yn-4-yloxy)-oxophosphanium
CID 118572762
(3S,5R)-2,3,5,6-tetramethyl-3-prop-2-enoxyheptane
CID 59926274
5-methyl-5-prop-2-enoxyhept-1-en-6-yne
CID 14264720
2-methyl-2-prop-2-enoxyhex-5-en-3-amine
CID 87299855
4-chloro-4-methylpent-1-ene
CID 14174361
3-methyl-2-prop-2-enoxybutan-1-amine
CID 14954769
6-[(2-methylpropan-2-yl)oxymethyl]oct-1-ene
CID 176971023
(2R)-3-methoxy-2,3-dimethylhex-5-en-1-ol
CID 59910944
1-[(2-methylpropan-2-yl)oxy]non-8-en-2-ol
CID 107012250
(3-chloro-2-methylhept-6-en-2-yl)silane
CID 173227079

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-methyl-4,5-bis(prop-2-enoxy)nona-1,8-diene?
The IUPAC name of (4R,5R)-4-methyl-4,5-bis(prop-2-enoxy)nona-1,8-diene (CID 10562662) is (4R,5R)-4-methyl-4,5-bis(prop-2-enoxy)nona-1,8-diene.
What is the SMILES notation for (4R,5R)-4-methyl-4,5-bis(prop-2-enoxy)nona-1,8-diene?
The canonical SMILES for (4R,5R)-4-methyl-4,5-bis(prop-2-enoxy)nona-1,8-diene is C=CCC[C@@H](OCC=C)[C@@](C)(CC=C)OCC=C.
What is the InChIKey of (4R,5R)-4-methyl-4,5-bis(prop-2-enoxy)nona-1,8-diene?
The InChIKey is BZZNRMSVLSIISI-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H26O2/c1-6-10-11-15(17-13-8-3)16(5,12-7-2)18-14-9-4/h6-9,15H,1-4,10-14H2,5H3/t15-,16-/m1/s1.
What are the key properties of (4R,5R)-4-methyl-4,5-bis(prop-2-enoxy)nona-1,8-diene?
(4R,5R)-4-methyl-4,5-bis(prop-2-enoxy)nona-1,8-diene has a molecular weight of 250.38 g/mol, XLogP of 4.06, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-methyl-4,5-bis(prop-2-enoxy)nona-1,8-diene is sourced from PubChem (CID 10562662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).