[(2R)-2-[[(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexyl]oxymethyl]oxolan-2-yl]methanol

C19H34O3 — CID 10662771

IUPAC[(2R)-2-[[(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexyl]oxymethyl]oxolan-2-yl]methanol
SMILESC=CC[C@]1(OC[C@]2(CO)CCCO2)C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C19H34O3/c1-5-9-19(12-16(4)7-8-17(19)15(2)3)22-14-18(13-20)10-6-11-21-18/h5,15-17,20H,1,6-14H2,2-4H3/t16-,17+,18-,19+/m1/s1
InChIKeyGFQQVYSGRHAKOA-HCXYKTFWSA-N
MW310.48 g/mol
LogP3.95
Rot. Bonds7

About [(2R)-2-[[(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexyl]oxymethyl]oxolan-2-yl]methanol

[(2R)-2-[[(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexyl]oxymethyl]oxolan-2-yl]methanol (PubChem CID 10662771) has the molecular formula C19H34O3 and a molecular weight of 310.48 g/mol. Its IUPAC name is [(2R)-2-[[(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexyl]oxymethyl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-2-[[(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexyl]oxymethyl]oxolan-2-yl]methanol
PubChem CID10662771
Molecular FormulaC19H34O3
Molecular Weight310.48 g/mol
Exact Mass310.25
IUPAC Name[(2R)-2-[[(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexyl]oxymethyl]oxolan-2-yl]methanol
SMILESC=CC[C@]1(OC[C@]2(CO)CCCO2)C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C19H34O3/c1-5-9-19(12-16(4)7-8-17(19)15(2)3)22-14-18(13-20)10-6-11-21-18/h5,15-17,20H,1,6-14H2,2-4H3/t16-,17+,18-,19+/m1/s1
InChIKeyGFQQVYSGRHAKOA-HCXYKTFWSA-N
XLogP3.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexan-1-ol
CID 11401335
[(2S)-2-(octadecoxymethyl)oxolan-2-yl]methanol
CID 10667755
1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 19844421
1-but-3-en-2-yl-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 72951939
2-[(4S,6R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethanol
CID 10923156
4-methyl-2-prop-2-enyloxan-2-ol
CID 10877368
bis[1-(2-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexyl] carbonate
CID 66939694
cis-(2S,5R)-1-[(3Z)-5-hydroxypenta-1,3-dien-3-yl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 101266253
2-(2-ethyloxolan-2-yl)ethanol
CID 142632895
3-methyl-1-prop-2-enylcyclopentan-1-ol
CID 10034708
(2-propyloxan-2-yl)methanol
CID 130609944
[2-(hydroxymethyl)oxolan-2-yl]methanol;methyl oxolane-2-carboxylate
CID 157379582

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[[(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexyl]oxymethyl]oxolan-2-yl]methanol?
The IUPAC name of [(2R)-2-[[(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexyl]oxymethyl]oxolan-2-yl]methanol (CID 10662771) is [(2R)-2-[[(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexyl]oxymethyl]oxolan-2-yl]methanol.
What is the SMILES notation for [(2R)-2-[[(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexyl]oxymethyl]oxolan-2-yl]methanol?
The canonical SMILES for [(2R)-2-[[(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexyl]oxymethyl]oxolan-2-yl]methanol is C=CC[C@]1(OC[C@]2(CO)CCCO2)C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of [(2R)-2-[[(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexyl]oxymethyl]oxolan-2-yl]methanol?
The InChIKey is GFQQVYSGRHAKOA-HCXYKTFWSA-N. The full InChI is InChI=1S/C19H34O3/c1-5-9-19(12-16(4)7-8-17(19)15(2)3)22-14-18(13-20)10-6-11-21-18/h5,15-17,20H,1,6-14H2,2-4H3/t16-,17+,18-,19+/m1/s1.
What are the key properties of [(2R)-2-[[(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexyl]oxymethyl]oxolan-2-yl]methanol?
[(2R)-2-[[(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexyl]oxymethyl]oxolan-2-yl]methanol has a molecular weight of 310.48 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[[(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexyl]oxymethyl]oxolan-2-yl]methanol is sourced from PubChem (CID 10662771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).