(1R)-4-methyl-1-[(2R,5R)-2-methyl-5-propan-2-yloxolan-2-yl]pent-4-en-1-ol

C14H26O2 — CID 10013940

IUPAC(1R)-4-methyl-1-[(2R,5R)-2-methyl-5-propan-2-yloxolan-2-yl]pent-4-en-1-ol
SMILESC=C(C)CC[C@@H](O)[C@@]1(C)CC[C@H](C(C)C)O1
InChIInChI=1S/C14H26O2/c1-10(2)6-7-13(15)14(5)9-8-12(16-14)11(3)4/h11-13,15H,1,6-9H2,2-5H3/t12-,13-,14-/m1/s1
InChIKeyYNCCPISVTAJBRI-MGPQQGTHSA-N
MW226.36 g/mol
LogP3.30
Rot. Bonds5

About (1R)-4-methyl-1-[(2R,5R)-2-methyl-5-propan-2-yloxolan-2-yl]pent-4-en-1-ol

(1R)-4-methyl-1-[(2R,5R)-2-methyl-5-propan-2-yloxolan-2-yl]pent-4-en-1-ol (PubChem CID 10013940) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (1R)-4-methyl-1-[(2R,5R)-2-methyl-5-propan-2-yloxolan-2-yl]pent-4-en-1-ol.

Molecular Properties

Compound Name(1R)-4-methyl-1-[(2R,5R)-2-methyl-5-propan-2-yloxolan-2-yl]pent-4-en-1-ol
PubChem CID10013940
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(1R)-4-methyl-1-[(2R,5R)-2-methyl-5-propan-2-yloxolan-2-yl]pent-4-en-1-ol
SMILESC=C(C)CC[C@@H](O)[C@@]1(C)CC[C@H](C(C)C)O1
InChIInChI=1S/C14H26O2/c1-10(2)6-7-13(15)14(5)9-8-12(16-14)11(3)4/h11-13,15H,1,6-9H2,2-5H3/t12-,13-,14-/m1/s1
InChIKeyYNCCPISVTAJBRI-MGPQQGTHSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-4-methyl-1-[(2R,5R)-2-methyl-5-propan-2-yloxolan-2-yl]pent-4-en-1-ol?
The IUPAC name of (1R)-4-methyl-1-[(2R,5R)-2-methyl-5-propan-2-yloxolan-2-yl]pent-4-en-1-ol (CID 10013940) is (1R)-4-methyl-1-[(2R,5R)-2-methyl-5-propan-2-yloxolan-2-yl]pent-4-en-1-ol.
What is the SMILES notation for (1R)-4-methyl-1-[(2R,5R)-2-methyl-5-propan-2-yloxolan-2-yl]pent-4-en-1-ol?
The canonical SMILES for (1R)-4-methyl-1-[(2R,5R)-2-methyl-5-propan-2-yloxolan-2-yl]pent-4-en-1-ol is C=C(C)CC[C@@H](O)[C@@]1(C)CC[C@H](C(C)C)O1.
What is the InChIKey of (1R)-4-methyl-1-[(2R,5R)-2-methyl-5-propan-2-yloxolan-2-yl]pent-4-en-1-ol?
The InChIKey is YNCCPISVTAJBRI-MGPQQGTHSA-N. The full InChI is InChI=1S/C14H26O2/c1-10(2)6-7-13(15)14(5)9-8-12(16-14)11(3)4/h11-13,15H,1,6-9H2,2-5H3/t12-,13-,14-/m1/s1.
What are the key properties of (1R)-4-methyl-1-[(2R,5R)-2-methyl-5-propan-2-yloxolan-2-yl]pent-4-en-1-ol?
(1R)-4-methyl-1-[(2R,5R)-2-methyl-5-propan-2-yloxolan-2-yl]pent-4-en-1-ol has a molecular weight of 226.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-methyl-1-[(2R,5R)-2-methyl-5-propan-2-yloxolan-2-yl]pent-4-en-1-ol is sourced from PubChem (CID 10013940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).