(1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane

C14H20 — CID 124764509

IUPAC(1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane
SMILESC1C[C@H]2C[C@H]1C1C2C2C1[C@H]1CC[C@H]2C1
InChIInChI=1S/C14H20/c1-2-8-5-7(1)11-12(8)14-10-4-3-9(6-10)13(11)14/h7-14H,1-6H2/t7-,8-,9-,10-,11?,12?,13?,14?/m0/s1
InChIKeyUSKKQUSCOMQNOQ-MTGZYYMASA-N
MW188.31 g/mol
LogP3.32
Rot. Bonds

About (1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane

(1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane (PubChem CID 124764509) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is (1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane.

Molecular Properties

Compound Name(1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane
PubChem CID124764509
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name(1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane
SMILESC1C[C@H]2C[C@H]1C1C2C2C1[C@H]1CC[C@H]2C1
InChIInChI=1S/C14H20/c1-2-8-5-7(1)11-12(8)14-10-4-3-9(6-10)13(11)14/h7-14H,1-6H2/t7-,8-,9-,10-,11?,12?,13?,14?/m0/s1
InChIKeyUSKKQUSCOMQNOQ-MTGZYYMASA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cycloheptane_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane?
The IUPAC name of (1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane (CID 124764509) is (1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane.
What is the SMILES notation for (1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane?
The canonical SMILES for (1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane is C1C[C@H]2C[C@H]1C1C2C2C1[C@H]1CC[C@H]2C1.
What is the InChIKey of (1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane?
The InChIKey is USKKQUSCOMQNOQ-MTGZYYMASA-N. The full InChI is InChI=1S/C14H20/c1-2-8-5-7(1)11-12(8)14-10-4-3-9(6-10)13(11)14/h7-14H,1-6H2/t7-,8-,9-,10-,11?,12?,13?,14?/m0/s1.
What are the key properties of (1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane?
(1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane has a molecular weight of 188.31 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane is sourced from PubChem (CID 124764509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).