(4R,6R)-5,5-dimethyl-6-phenylmethoxynona-1,8-dien-4-ol

C18H26O2 — CID 25018953

IUPAC(4R,6R)-5,5-dimethyl-6-phenylmethoxynona-1,8-dien-4-ol
SMILESC=CC[C@@H](O)C(C)(C)[C@@H](CC=C)OCc1ccccc1
InChIInChI=1S/C18H26O2/c1-5-10-16(19)18(3,4)17(11-6-2)20-14-15-12-8-7-9-13-15/h5-9,12-13,16-17,19H,1-2,10-11,14H2,3-4H3/t16-,17-/m1/s1
InChIKeyNXUYOWVFMBWGQW-IAGOWNOFSA-N
MW274.40 g/mol
LogP4.11
Rot. Bonds9

About (4R,6R)-5,5-dimethyl-6-phenylmethoxynona-1,8-dien-4-ol

(4R,6R)-5,5-dimethyl-6-phenylmethoxynona-1,8-dien-4-ol (PubChem CID 25018953) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (4R,6R)-5,5-dimethyl-6-phenylmethoxynona-1,8-dien-4-ol.

Molecular Properties

Compound Name(4R,6R)-5,5-dimethyl-6-phenylmethoxynona-1,8-dien-4-ol
PubChem CID25018953
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(4R,6R)-5,5-dimethyl-6-phenylmethoxynona-1,8-dien-4-ol
SMILESC=CC[C@@H](O)C(C)(C)[C@@H](CC=C)OCc1ccccc1
InChIInChI=1S/C18H26O2/c1-5-10-16(19)18(3,4)17(11-6-2)20-14-15-12-8-7-9-13-15/h5-9,12-13,16-17,19H,1-2,10-11,14H2,3-4H3/t16-,17-/m1/s1
InChIKeyNXUYOWVFMBWGQW-IAGOWNOFSA-N
XLogP4.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R,6R)-5,5-dimethyl-6-phenylmethoxynona-1,8-dien-4-ol with MolForge

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Related Compounds

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CID 53362755
1,1,1-trifluoropent-4-en-2-yloxymethylbenzene
CID 175434069
benzyl (2R)-2-hydroxypent-4-enoate
CID 11356210
(1R,3R)-2,2-difluoro-1-(4-fluorophenyl)-1-phenylmethoxyhex-5-en-3-ol
CID 15856347
(2S,3R)-3-phenylmethoxypent-4-en-2-ol
CID 73332888
(2R,3S)-4,4-dimethyl-3-phenylmethoxyhex-5-ene-1,2-diol
CID 165415763
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
(2S,3R,4R)-4-phenylmethoxyhex-5-ene-2,3-diol
CID 46855133
octa-1,7-dien-4-yloxymethylbenzene
CID 90067703
1-methyl-4-(1-phenylmethoxybut-3-enyl)benzene
CID 100950686
2-methyl-2-phenylmethoxypent-4-en-1-ol
CID 14683661
penta-1,4-dien-3-yloxymethylbenzene
CID 102250646

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-5,5-dimethyl-6-phenylmethoxynona-1,8-dien-4-ol?
The IUPAC name of (4R,6R)-5,5-dimethyl-6-phenylmethoxynona-1,8-dien-4-ol (CID 25018953) is (4R,6R)-5,5-dimethyl-6-phenylmethoxynona-1,8-dien-4-ol.
What is the SMILES notation for (4R,6R)-5,5-dimethyl-6-phenylmethoxynona-1,8-dien-4-ol?
The canonical SMILES for (4R,6R)-5,5-dimethyl-6-phenylmethoxynona-1,8-dien-4-ol is C=CC[C@@H](O)C(C)(C)[C@@H](CC=C)OCc1ccccc1.
What is the InChIKey of (4R,6R)-5,5-dimethyl-6-phenylmethoxynona-1,8-dien-4-ol?
The InChIKey is NXUYOWVFMBWGQW-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H26O2/c1-5-10-16(19)18(3,4)17(11-6-2)20-14-15-12-8-7-9-13-15/h5-9,12-13,16-17,19H,1-2,10-11,14H2,3-4H3/t16-,17-/m1/s1.
What are the key properties of (4R,6R)-5,5-dimethyl-6-phenylmethoxynona-1,8-dien-4-ol?
(4R,6R)-5,5-dimethyl-6-phenylmethoxynona-1,8-dien-4-ol has a molecular weight of 274.40 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-5,5-dimethyl-6-phenylmethoxynona-1,8-dien-4-ol is sourced from PubChem (CID 25018953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).