(2Z,4E,8R)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4,8-trimethyl-6-methylidenenona-2,4-dien-1-ol

C18H30O3 — CID 11833306

IUPAC(2Z,4E,8R)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4,8-trimethyl-6-methylidenenona-2,4-dien-1-ol
SMILESC=C(/C=C(C)/C(C)=C\CO)C[C@@H](C)C[C@@H]1COC(C)(C)O1
InChIInChI=1S/C18H30O3/c1-13(10-16(4)15(3)7-8-19)9-14(2)11-17-12-20-18(5,6)21-17/h7,10,14,17,19H,1,8-9,11-12H2,2-6H3/b15-7-,16-10+/t14-,17-/m1/s1
InChIKeyFRYCSXVKHZGKAO-FUBZUXHWSA-N
MW294.44 g/mol
LogP4.00
Rot. Bonds7

About (2Z,4E,8R)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4,8-trimethyl-6-methylidenenona-2,4-dien-1-ol

(2Z,4E,8R)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4,8-trimethyl-6-methylidenenona-2,4-dien-1-ol (PubChem CID 11833306) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is (2Z,4E,8R)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4,8-trimethyl-6-methylidenenona-2,4-dien-1-ol.

Molecular Properties

Compound Name(2Z,4E,8R)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4,8-trimethyl-6-methylidenenona-2,4-dien-1-ol
PubChem CID11833306
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name(2Z,4E,8R)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4,8-trimethyl-6-methylidenenona-2,4-dien-1-ol
SMILESC=C(/C=C(C)/C(C)=C\CO)C[C@@H](C)C[C@@H]1COC(C)(C)O1
InChIInChI=1S/C18H30O3/c1-13(10-16(4)15(3)7-8-19)9-14(2)11-17-12-20-18(5,6)21-17/h7,10,14,17,19H,1,8-9,11-12H2,2-6H3/b15-7-,16-10+/t14-,17-/m1/s1
InChIKeyFRYCSXVKHZGKAO-FUBZUXHWSA-N
XLogP4.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2Z,4E,8R)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4,8-trimethyl-6-methylidenenona-2,4-dien-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(5E,10E)-2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-5,10-dien-4-ol
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2-Fluoro-5-methyl-4-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohex-2-en-1-ol
CID 163598342
(2Z)-2-[(6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol
CID 11107412
(2Z)-2-[6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol
CID 135042599
(E)-3-methyl-5-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
CID 6364641
(E)-3-methyl-5-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
CID 101393383
3-Methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-2-penten-1-ol
CID 11042492
3-Methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)pent-2-en-1-ol
CID 53414727
2,6,10-Trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-5,10-dien-4-ol
CID 75296788
(E,6S)-3,6,7-trimethyl-8-[(4R)-2-propyl-1,3-dioxolan-4-yl]oct-2-en-1-ol
CID 139308680
(2Z,4E)-3-methyl-5-(7,8,9-trimethyl-9-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)penta-2,4-dien-1-ol
CID 141870204
(1E,3E)-8,12-dimethyl-1-(2-pentyl-1,3-dioxolan-2-yl)trideca-1,3,11-trien-5-ol
CID 141928445

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,8R)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4,8-trimethyl-6-methylidenenona-2,4-dien-1-ol?
The IUPAC name of (2Z,4E,8R)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4,8-trimethyl-6-methylidenenona-2,4-dien-1-ol (CID 11833306) is (2Z,4E,8R)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4,8-trimethyl-6-methylidenenona-2,4-dien-1-ol.
What is the SMILES notation for (2Z,4E,8R)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4,8-trimethyl-6-methylidenenona-2,4-dien-1-ol?
The canonical SMILES for (2Z,4E,8R)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4,8-trimethyl-6-methylidenenona-2,4-dien-1-ol is C=C(/C=C(C)/C(C)=C\CO)C[C@@H](C)C[C@@H]1COC(C)(C)O1.
What is the InChIKey of (2Z,4E,8R)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4,8-trimethyl-6-methylidenenona-2,4-dien-1-ol?
The InChIKey is FRYCSXVKHZGKAO-FUBZUXHWSA-N. The full InChI is InChI=1S/C18H30O3/c1-13(10-16(4)15(3)7-8-19)9-14(2)11-17-12-20-18(5,6)21-17/h7,10,14,17,19H,1,8-9,11-12H2,2-6H3/b15-7-,16-10+/t14-,17-/m1/s1.
What are the key properties of (2Z,4E,8R)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4,8-trimethyl-6-methylidenenona-2,4-dien-1-ol?
(2Z,4E,8R)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4,8-trimethyl-6-methylidenenona-2,4-dien-1-ol has a molecular weight of 294.44 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,8R)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4,8-trimethyl-6-methylidenenona-2,4-dien-1-ol is sourced from PubChem (CID 11833306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).